data_1nyo_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1nyo _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.46 HG23 ' CB ' ' A' ' 109' ' ' PRO . 16.6 m -124.18 142.44 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.22 154.4 11.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -47.76 -46.64 24.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.39 -30.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -68.23 -73.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' TYR . 2.3 mm-40 -54.14 -45.61 72.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 43.9 t80 -35.87 -65.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.92 -53.31 10.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.41 -39.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.09 -48.28 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -126.83 79.29 72.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.99 -31.86 5.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.422 ' C ' ' OG ' ' A' ' 21' ' ' SER . 71.9 p -137.02 176.3 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 105.17 -173.04 20.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HB2' ' CG ' ' A' ' 36' ' ' ASN . 18.4 Cg_endo -75.01 -18.64 18.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -90.05 23.34 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.422 ' OG ' ' C ' ' A' ' 17' ' ' THR . 0.7 OUTLIER -106.82 171.93 7.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.471 ' CG1' HG11 ' A' ' 145' ' ' VAL . 2.8 m -68.65 -31.53 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -87.34 -39.48 15.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.9 73.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.454 ' CE ' HG12 ' A' ' 145' ' ' VAL . 22.5 ptp -66.52 -10.19 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' C ' ' A' ' 147' ' ' THR . 5.3 t -75.49 -53.53 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.64 -16.93 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 88.2 m-20 -111.19 160.39 29.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.96 154.27 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 3.1 p -30.7 -44.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -55.98 -97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.9 t -38.78 -33.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.503 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -54.05 -50.73 66.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.33 -8.66 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.475 ' CB ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.7 26.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 31.3 m-80 -136.49 -39.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -45.08 129.58 5.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 172.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 6.1 3.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.64 -2.18 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 22.8 mt -114.02 -33.23 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 23.2 p -34.58 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.59 -55.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.544 ' N ' ' CG2' ' A' ' 42' ' ' THR . 0.0 OUTLIER -59.18 -52.75 64.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.608 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 60.3 m -47.7 -56.72 6.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.48 -38.36 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -71.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.608 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -45.76 -61.95 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.517 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 11.4 p -43.41 -63.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 147.61 -24.36 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 49' ' ' GLY . 2.6 mt-30 -36.95 -44.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -51.93 9.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.11 110.28 43.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 17.54 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.27 8.6 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 56' ' ' ASN . 2.2 t -132.2 160.17 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 4.7 p30 -169.73 110.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.09 8.48 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.517 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 3.5 t -66.84 -39.63 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.91 -45.53 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . 20.3 m -64.31 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.499 ' HA ' ' CD2' ' A' ' 66' ' ' TYR . 5.0 mt -38.99 -43.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -85.46 52.52 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 t -163.16 110.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 82.01 140.07 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.7 mt-30 -50.46 109.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 0.725 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 5.8 m-30 -112.97 -175.53 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.596 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 86.8 m -152.16 87.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 11.4 t -51.79 140.07 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 103' ' ' VAL . 10.7 m-85 -131.25 67.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -97.7 130.1 29.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -138.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.717 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.99 108.68 2.77 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 54.9 p -53.5 175.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.0 -11.95 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.69 -19.1 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.717 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 55.8 m-85 -63.17 -47.74 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -44.42 -54.57 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.951 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 4.6 mtmp? -40.37 -46.39 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.5 149.21 84.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 155.64 43.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.64 -53.3 56.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 p -39.68 -44.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -51.37 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.14 -51.08 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -21.04 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' C ' ' ND2' ' A' ' 90' ' ' ASN . 8.0 tp10 -81.74 -44.49 16.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.9 mt -66.19 -8.71 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -90.57 25.06 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -160.87 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.452 ' ND2' HD21 ' A' ' 87' ' ' LEU . 6.3 m-20 -55.79 168.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 p -159.48 26.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.86 -44.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -26.96 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.74 -46.59 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.6 t -55.13 -45.68 75.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.441 ' C ' ' HG3' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -50.35 -39.72 47.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.14 -57.41 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -48.93 -61.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.427 ' HB ' ' CA ' ' A' ' 120' ' ' GLN . 2.6 p -46.22 -48.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.1 t80 -61.43 -21.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.692 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.4 m-70 -89.42 24.39 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.49 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 2.3 t -153.32 149.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.599 HG22 ' CE2' ' A' ' 69' ' ' PHE . 92.6 t -134.17 131.16 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.08 109.71 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 161.8 -49.2 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.596 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.5 OUTLIER 77.58 120.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.0 m -157.26 128.4 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -52.88 165.77 0.54 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.46 ' CB ' HG23 ' A' ' 4' ' ' VAL . 18.1 Cg_endo -75.05 52.42 3.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 -45.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 113' ' ' VAL . 5.4 m-20 -98.67 -29.97 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -40.8 -29.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 111' ' ' ASN . 11.1 p -60.37 143.83 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.95 178.5 23.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.4 m -71.48 101.79 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 -170.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.529 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 15.5 tt0 -129.85 131.4 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 120' ' ' GLN . 71.7 p -97.21 145.34 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.49 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -39.69 -30.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.445 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -55.51 -59.6 4.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.3 -24.62 1.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.16 174.36 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.3 m -100.4 142.64 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.5 p -112.88 104.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -68.59 96.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 135' ' ' VAL . 17.5 t -91.54 153.39 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.9 m -146.58 175.79 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 140' ' ' VAL . 6.1 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -123.31 164.4 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.5 ' CG1' HD12 ' A' ' 159' ' ' LEU . 2.2 t -156.28 121.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 50.16 38.84 33.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.3 t-20 84.25 -14.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -74.87 -178.79 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -124.87 109.38 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 46.6 t -55.5 98.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 72' ' ' THR . 2.9 t -63.06 -60.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.69 106.19 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.0 161.97 12.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.04 24.46 44.59 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.471 HG11 ' CG1' ' A' ' 22' ' ' VAL . 1.4 t -96.21 65.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 13.1 m -53.7 127.65 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 7.2 p -87.63 -105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.2 -44.24 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -150.98 38.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.554 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -172.13 141.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.6 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 26.2 m -83.07 170.91 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.433 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -136.03 131.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.6 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 88.6 m-85 -140.51 87.42 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -64.22 146.88 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.552 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -135.78 -179.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -121.33 36.97 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.48 134.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' A' ' 159' ' ' LEU . 70.7 t -75.17 72.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.551 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 22.9 mt -33.24 148.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.724 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.9 mtp -139.61 144.37 39.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.441 ' HG3' ' C ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.37 141.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.21 160.3 11.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.31 -30.72 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.5 -28.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.73 -70.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -43.78 -47.85 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' ALA . 71.5 t80 -43.44 -63.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.06 -52.62 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.67 -35.31 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.95 -42.63 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -130.72 78.25 74.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -30.68 6.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.7 p -129.5 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.21 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.37 20.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -91.53 14.71 14.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 61.2 p -93.06 165.47 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 145' ' ' VAL . 18.9 m -62.83 -31.04 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -98.26 -48.59 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -52.06 -21.81 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.464 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 16.2 ptp -91.68 -17.09 26.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -61.66 -36.56 81.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.84 -12.35 61.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 m-20 -97.85 144.13 27.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.691 ' O ' ' C ' ' A' ' 31' ' ' ALA . 3.3 p 28.65 -109.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.691 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -11.45 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.507 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 78.9 t -40.81 -66.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.618 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -31.89 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -64.91 -58.39 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 32' ' ' VAL . 7.5 t -44.65 -26.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' ALA . 16.6 m120 -80.11 -49.34 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' O ' ' CG2' ' A' ' 41' ' ' THR . 5.0 t-20 -52.72 130.38 46.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 3.48 5.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 2.5 mm-40 -121.39 -3.84 9.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.501 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 17.1 mt -116.64 -32.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 2.2 p -32.64 -39.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.7 m -63.37 -58.41 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.12 -43.2 87.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.553 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 90.4 m -48.45 -58.7 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -40.16 -35.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . . . -68.29 -71.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.32 -62.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.256 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.557 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 23.6 p -43.56 -53.11 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 132.91 -21.18 4.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLY . 21.7 mt-30 -37.79 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -82.32 -53.06 6.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.536 HD22 ' N ' ' A' ' 89' ' ' THR . 0.5 OUTLIER -119.1 129.42 25.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.79 -5.34 10.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 52' ' ' ASN . 5.5 m -111.66 137.6 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 48' ' ' SER . 8.1 p30 -159.61 119.23 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 17.5 mt -128.17 14.08 6.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.557 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.5 t -67.74 -59.14 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 -39.2 89.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 m -64.12 -69.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.513 ' CD2' HG23 ' A' ' 102' ' ' VAL . 5.6 mt -37.98 -38.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 9.8 t-20 -85.89 51.04 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.519 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -166.26 109.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 152.9 26.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -69.64 108.59 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CZ ' ' O ' ' A' ' 63' ' ' SER . 14.2 m-30 -113.8 -173.25 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.513 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 35.9 m -151.54 87.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.438 ' CG1' ' HB1' ' A' ' 70' ' ' ALA . 58.9 t -51.53 134.7 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CE2' HG23 ' A' ' 103' ' ' VAL . 10.0 m-85 -125.43 67.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -96.1 127.24 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -139.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.824 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.5 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 35.9 p -62.57 -179.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.454 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 1.1 m-80 -66.77 -38.14 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.45 -9.47 58.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' HB3' ' N ' ' A' ' 157' ' ' SER . . . -80.17 -47.98 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.824 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 53.5 m-85 -77.97 -45.94 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -48.43 -23.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 5.5 mtmt -63.37 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 158' ' ' VAL . 22.6 mt -79.68 147.95 68.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -75.03 140.0 24.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.45 -30.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' PRO . 48.0 p -56.76 -55.29 36.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -45.77 84.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 86' ' ' GLU . 29.2 mm -62.19 -56.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.57 -26.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' THR . 5.1 tp10 -78.7 -50.31 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.507 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 5.7 mt -54.96 -19.31 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.483 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 15.0 mttt -86.46 7.03 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.536 ' N ' HD22 ' A' ' 52' ' ' ASN . 1.8 t -141.66 10.17 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.507 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -118.82 153.73 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -144.91 23.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.35 -45.62 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -30.38 41.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.483 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -81.36 -43.04 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -54.14 -43.82 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.583 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.3 m -53.57 -39.59 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 100' ' ' TYR . 2.4 mt -65.42 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -44.67 -62.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.6 p -43.59 -51.54 6.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 97' ' ' ILE . 1.2 t80 -56.99 -22.47 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.747 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 47.8 m-70 -90.62 24.32 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.513 HG23 ' CD2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -162.58 111.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.612 HG23 ' CE2' ' A' ' 69' ' ' PHE . 54.3 t -94.7 149.6 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.41 96.92 10.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.44 106.16 0.71 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 132.25 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.436 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 17.5 m -150.88 133.9 15.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.21 165.4 28.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.92 50.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.83 -46.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.7 m-20 -96.27 -28.5 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.3 -25.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' A' ' 111' ' ' ASN . 85.7 t -62.2 133.31 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.21 -174.91 15.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 95.2 m -73.6 104.3 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.622 ' NE ' ' H ' ' A' ' 117' ' ' GLN . 2.5 tpm_? -105.52 147.07 28.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.622 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 10.2 tt0 -94.25 127.28 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.638 ' CG2' ' CG2' ' A' ' 124' ' ' VAL . 9.4 p -101.27 165.99 11.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 102' ' ' VAL . 21.0 mt -48.89 -54.04 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.575 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 16.0 tp60 -49.26 -31.93 9.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.29 -41.12 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.502 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -50.52 150.72 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.448 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 17.6 p -86.93 158.92 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.638 ' CG2' ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -124.37 102.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.4 m -69.8 73.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.514 ' C ' ' CG2' ' A' ' 127' ' ' THR . 3.2 t -72.32 145.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.514 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -156.47 -174.96 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 133' ' ' LEU . 4.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.6 mttt -134.88 154.38 51.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 138' ' ' ALA . 1.8 t -149.11 122.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 42.87 45.64 5.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.7 t-20 88.05 -39.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 134' ' ' LYS . . . -51.97 171.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -120.7 116.95 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.548 ' CB ' ' HB2' ' A' ' 133' ' ' LEU . 77.4 t -58.26 113.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.412 ' CG2' HG22 ' A' ' 72' ' ' THR . 2.3 t -85.99 -47.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 27.4 t -160.48 106.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.43 176.14 18.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.57 20.19 79.41 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.5 t -87.93 52.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.4 m -43.33 128.67 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.534 ' CG2' ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -96.98 -99.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -104.94 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -127.86 37.87 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -168.5 138.89 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.711 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 30.7 m -78.11 174.23 11.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -138.99 129.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.9 m-85 -137.69 89.59 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.44 142.06 57.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.578 HD12 ' CE1' ' A' ' 101' ' ' HIS . 0.4 OUTLIER -134.56 -178.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.47 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 1.7 p-10 -118.38 39.21 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.441 ' N ' ' HB3' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -171.38 136.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.68 ' CG2' ' O ' ' A' ' 158' ' ' VAL . 1.5 m -78.59 71.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.687 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -22.52 135.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.36 140.67 38.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.583 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.05 121.56 6.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.503 HG13 ' CB ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -117.94 172.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.05 155.29 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -163.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -63.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.26 -36.87 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.7 -40.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.91 -73.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -40.75 -43.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CE1' ' ND2' ' A' ' 15' ' ' ASN . 45.0 t80 -49.08 -64.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.62 -49.88 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.27 -46.9 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -77.43 -53.53 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 11' ' ' TYR . 2.3 m-80 -118.12 81.76 16.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.06 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -111.78 -153.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.7 43.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -8.0 19.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -82.54 -22.32 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 p -59.07 168.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.492 ' CG1' HG13 ' A' ' 145' ' ' VAL . 42.6 t -67.18 -29.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.1 -46.33 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.93 -46.3 25.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.4 ptp -70.56 -11.62 61.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 147' ' ' THR . 7.0 m -76.68 -26.52 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.22 -16.1 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.66 165.96 12.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 150.92 38.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.8 p -30.51 -48.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -50.29 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' SER . 21.9 t -35.81 -44.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -44.32 -54.35 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -70.45 -22.88 62.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -87.77 20.72 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -126.05 -41.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -55.41 130.77 70.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 174.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 3.47 5.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.773 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -117.44 -9.82 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 63.4 mt -105.7 -29.05 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 2.3 p -36.47 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -69.14 -55.03 11.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.532 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.68 -52.52 60.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 85.5 m -46.44 -57.01 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.96 -39.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.84 -69.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -48.98 -63.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.517 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 96.5 p -42.39 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.51 -20.79 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.488 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 6.5 mt-30 -43.59 -25.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -109.08 -44.09 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -113.36 92.48 23.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 26.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -130.66 4.61 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 7.6 p -150.98 153.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 7.8 p30 -152.92 108.09 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 12.91 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.517 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 4.7 t -78.7 -27.64 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -83.44 -19.56 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.2 m -94.94 -62.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 60' ' ' THR . 3.1 mt -37.64 -43.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -80.41 53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.08 110.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 86.8 138.02 5.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -50.77 105.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.3 m-30 -112.71 -174.63 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.511 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 80.8 m -153.14 89.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 11.6 t -53.03 142.86 5.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.1 m-85 -133.61 73.68 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.663 ' C ' HD11 ' A' ' 155' ' ' ILE . . . -108.27 125.43 31.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -136.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.862 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 125.7 9.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 37.9 p -67.03 -173.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 2.8 m120 -77.33 -2.18 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -106.46 -20.9 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -72.58 -37.01 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.862 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 39.2 m-85 -82.93 -24.68 32.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -24.08 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.1 mtmp? -70.69 -10.2 58.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 80' ' ' PRO . 11.4 mt -75.31 163.35 68.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -75.0 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 79' ' ' LEU . . . 72.27 -59.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.13 -47.5 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.447 ' HB ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -51.52 -41.78 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.6 mm -63.18 -47.09 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.41 -16.47 9.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -90.47 -44.34 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 7.2 mt -55.75 -19.02 9.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.1 mtmt -84.2 7.81 17.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 88' ' ' LYS . 3.2 p -159.92 44.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.419 ' ND2' HD22 ' A' ' 87' ' ' LEU . 96.9 m-20 -122.63 -79.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 73.95 9.27 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -135.92 -44.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -89.46 -20.89 23.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -88.67 -44.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.9 t -47.17 -41.01 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.48 -42.61 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.488 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 1.1 mt -64.41 -54.75 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.86 -59.77 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.472 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 12.8 p -50.6 -51.3 49.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.698 ' CE2' ' O ' ' A' ' 160' ' ' MET . 17.0 t80 -59.03 -18.01 30.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.672 ' NE2' ' O ' ' A' ' 158' ' ' VAL . 41.5 m-70 -90.27 24.0 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.492 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 2.7 t -153.25 145.81 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.628 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 96.1 t -129.34 143.45 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.09 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.73 95.73 1.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.3 tt0 -53.4 127.25 24.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.433 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 23.5 m -139.59 138.36 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.0 p -74.04 163.99 64.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.503 ' CB ' HG13 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.98 45.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.59 19.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.525 ' O ' ' C ' ' A' ' 112' ' ' VAL . 34.0 m-20 -152.51 -51.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.35 -43.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' ASN . 2.4 p -40.91 127.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.19 170.7 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.9 m -65.94 81.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.506 ' CB ' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -79.65 -175.6 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -137.02 118.68 14.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.413 ' CG2' ' HB ' ' A' ' 124' ' ' VAL . 47.2 p -81.93 158.64 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.492 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -55.25 -25.31 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 120' ' ' GLN . 10.9 tp60 -61.34 -38.67 87.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.64 -32.51 3.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.47 158.41 36.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -111.5 99.7 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.0 m -67.47 100.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.515 HG11 ' CG2' ' A' ' 135' ' ' VAL . 41.5 t -94.45 150.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.509 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -156.5 -175.95 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.423 ' CA ' ' HA ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.665 ' HB2' ' CG2' ' A' ' 140' ' ' VAL . 1.1 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -134.41 155.48 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 138' ' ' ALA . 1.9 t -152.98 128.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 39.27 42.15 1.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.587 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 8.4 t30 89.1 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -51.45 175.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.438 ' C ' HG21 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -124.19 120.26 31.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.665 ' CG2' ' HB2' ' A' ' 133' ' ' LEU . 73.8 t -55.98 137.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.4 t -115.99 -56.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.6 96.33 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.29 166.79 12.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.04 72.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.492 HG13 ' CG1' ' A' ' 22' ' ' VAL . 1.3 t -83.18 58.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 73.7 m -53.14 124.77 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 14.3 p -87.04 -108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.34 -47.31 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -152.4 40.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.559 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -171.31 133.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.7 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 32.3 m -76.59 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.453 ' CG2' ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -142.98 129.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -133.21 93.17 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.614 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -68.71 114.35 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.663 HD11 ' C ' ' A' ' 70' ' ' ALA . 1.2 pp -109.06 166.94 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.469 ' O ' ' OG ' ' A' ' 157' ' ' SER . 15.4 p-10 -98.87 44.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 159' ' ' LEU . 1.3 m -172.17 141.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.672 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -73.72 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.589 ' C ' ' HG3' ' A' ' 160' ' ' MET . 61.0 mt 47.97 -88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.698 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER 87.53 137.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 123.24 7.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -119.5 158.56 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 157.3 33.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -48.26 -42.3 24.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -32.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.26 -75.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -49.43 -51.76 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' O ' ' A' ' 20' ' ' ALA . 75.8 t80 -37.24 -65.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.75 -44.96 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.21 -43.39 64.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.65 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.89 79.28 32.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -62.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.7 p -121.09 110.09 15.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.71 -169.29 39.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -20.98 16.26 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -98.21 28.68 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.3 p -100.91 166.55 10.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.05 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.485 ' CG1' HG11 ' A' ' 145' ' ' VAL . 6.4 m -66.89 -12.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' SER . 37.2 tp60 -107.72 -58.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.94 -42.14 7.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.467 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 14.9 ptp -70.18 -25.31 63.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' GLN . 3.1 t -54.96 -55.57 29.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -51.97 -18.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.459 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -93.17 144.09 27.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 100.53 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.743 ' O ' ' N ' ' A' ' 33' ' ' ALA . 4.3 p 27.58 -111.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.663 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -16.46 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.63 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 45.5 t -33.44 -51.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -47.21 -55.15 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -63.4 -12.35 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -84.26 16.32 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.426 ' OD1' ' OD2' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -134.42 -39.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 20.2 m-80 -49.42 129.97 18.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 171.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.0 4.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -121.51 -5.15 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' CB ' ' A' ' 37' ' ' ASN . 11.0 mt -117.09 -33.83 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 1.1 p -36.15 -36.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -67.37 -54.68 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.73 -47.73 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.534 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 17.7 m -49.33 -61.14 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -37.14 -38.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.92 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -48.78 -60.53 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.437 ' HA ' HG11 ' A' ' 58' ' ' VAL . 9.2 p -40.68 -67.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.31 -22.41 0.57 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 1.3 mm-40 -40.52 -57.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 tp -62.72 -49.99 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.503 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -128.91 113.98 18.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 11.61 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.506 1.792 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -116.2 7.97 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 56' ' ' ASN . 2.4 t -128.92 153.64 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' N ' HG12 ' A' ' 55' ' ' VAL . 2.6 p30 -165.68 113.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 60' ' ' THR . 10.1 mt -121.67 -38.01 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.1 p -32.73 -65.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' VAL . 6.0 t0 -39.3 -46.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.0 m -70.28 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 4.6 mt -39.05 -30.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 6.5 t-20 -90.76 53.65 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -175.78 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 99.42 131.62 7.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.8 mt-30 -50.76 106.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 9.7 m-30 -113.94 -172.72 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.528 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 46.7 m -153.42 86.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.422 ' CG2' HG22 ' A' ' 30' ' ' VAL . 58.9 t -51.52 135.56 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' A' ' 103' ' ' VAL . 8.2 m-85 -125.1 67.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 155' ' ' ILE . . . -95.29 129.94 33.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -139.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.716 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.5 Cg_endo -74.94 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 67.1 p -56.15 169.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -32.41 73.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.98 -19.65 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -75.08 -47.41 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.716 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 37.5 m-85 -67.81 -50.58 56.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -41.61 -53.76 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.0 mtmp? -37.94 -51.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.26 146.66 70.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.99 138.69 23.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.22 -44.85 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -43.38 -47.27 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.81 -58.8 6.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 mm -48.82 -61.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.528 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -46.7 -39.83 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -62.32 -45.11 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.495 HD22 ' ND2' ' A' ' 90' ' ' ASN . 8.7 mt -53.45 -49.41 67.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.528 ' CD ' ' HA ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -57.94 -9.87 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.432 ' N ' ' C ' ' A' ' 87' ' ' LEU . 11.3 t -138.56 38.21 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.495 ' ND2' HD22 ' A' ' 87' ' ' LEU . 91.9 m-20 -119.59 -68.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.95 -59.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 m -90.17 42.35 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.467 ' CD2' ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -164.1 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -70.86 -40.63 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.7 t -49.85 -44.46 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -52.82 -39.01 62.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 98' ' ' LEU . 2.6 mt -68.1 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -43.88 -62.5 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.438 HG21 ' CD1' ' A' ' 57' ' ' LEU . 12.6 p -48.33 -46.11 36.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.668 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.8 t80 -65.93 -12.3 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 14.1 m-70 -96.97 21.54 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -155.2 132.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.496 HG23 ' CE2' ' A' ' 69' ' ' PHE . 24.6 t -109.78 158.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.442 ' N ' HG11 ' A' ' 103' ' ' VAL . . . -104.61 98.8 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.95 97.25 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.406 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.2 OUTLIER -57.6 125.83 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.424 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 21.7 m -146.5 128.49 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -59.43 165.67 3.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 50.93 2.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.88 -45.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.9 m120 -99.37 -27.96 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -21.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 111' ' ' ASN . 95.3 t -74.22 137.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 -105.25 1.08 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.3 m -135.55 138.87 43.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -136.89 171.52 14.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -124.05 103.45 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 100' ' ' TYR . 68.6 p -62.11 140.71 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.472 HD23 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.73 -31.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -54.47 -57.9 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.29 -24.11 1.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -80.21 158.85 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -93.14 138.1 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 116' ' ' ARG . 3.1 p -108.89 115.31 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -79.41 106.72 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 135' ' ' VAL . 28.1 t -97.85 160.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.7 m -154.98 174.89 14.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.577 ' HB2' ' CG2' ' A' ' 140' ' ' VAL . 4.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 5.0 mtpt -133.2 151.26 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 138' ' ' ALA . 2.1 t -151.11 120.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.36 44.82 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.581 1.176 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t-20 87.43 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -54.2 173.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.35 113.76 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.577 ' CG2' ' HB2' ' A' ' 133' ' ' LEU . 75.6 t -55.46 126.71 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.88 -50.39 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 10.1 t -153.42 104.14 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.51 168.86 12.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.2 70.87 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.485 HG11 ' CG1' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -88.33 58.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.7 m -50.06 118.88 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.3 p -86.13 -100.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.91 -76.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -127.42 35.0 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.486 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -163.56 136.53 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.572 HG23 ' CE2' ' A' ' 153' ' ' TYR . 21.3 m -74.12 175.84 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.421 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.3 t -142.71 127.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.572 ' CE2' HG23 ' A' ' 151' ' ' THR . 92.6 m-85 -135.29 93.75 3.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.468 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -63.45 142.26 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.491 HD11 ' CE1' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -135.0 166.83 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 8.5 p-10 -109.61 47.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.8 OUTLIER -170.87 140.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 76' ' ' PHE . 42.3 t -79.03 71.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.63 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -34.02 135.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.668 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.9 mtt -132.02 150.04 74.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.44 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.92 138.84 23.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -141.42 163.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.64 152.02 27.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' C ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.98 -66.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -42.52 -26.69 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -39.74 -58.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -58.04 -71.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' ALA . 6.1 mp0 -36.59 -50.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 89.4 t80 -64.72 -53.73 42.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.54 -29.9 7.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -81.12 -41.6 22.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.405 ' HB3' ' N ' ' A' ' 21' ' ' SER . 38.3 m-80 -122.11 76.25 41.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLY . 14.7 p -114.03 -19.85 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.62 172.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.63 20.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.548 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -95.22 -7.74 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' CE ' ' A' ' 25' ' ' MET . 15.7 m -59.36 -165.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG1' HG13 ' A' ' 145' ' ' VAL . 16.2 t -83.23 -40.83 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.59 -36.15 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -46.38 92.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.518 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.3 ptp -63.16 -13.6 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 28' ' ' ASP . 7.4 t -63.61 -56.79 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -46.86 -22.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 73.6 m-20 -92.37 141.4 24.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 99.59 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.706 ' O ' ' C ' ' A' ' 31' ' ' ALA . 9.6 p 31.45 -121.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.88 -70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' SER . 69.3 t -31.45 -62.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.649 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -31.05 -73.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' C ' HG21 ' A' ' 44' ' ' THR . . . -47.42 -42.03 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.8 t -56.75 -15.22 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m-80 -111.14 -27.01 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.614 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 2.7 m120 -51.24 121.81 17.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 163.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 10.1 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.704 ' C ' HD22 ' A' ' 40' ' ' LEU . 2.8 mt-10 -120.81 -19.22 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.942 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -105.37 -14.79 15.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -37.94 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.8 m -73.83 -54.4 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -52.92 -56.08 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.599 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 73.3 p -50.36 -55.05 17.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.43 -36.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -68.71 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -47.82 -60.08 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.557 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 1.4 t -42.16 -66.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.91 -22.78 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.5 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 28.2 mt-30 -37.92 -59.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -56.37 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -133.9 126.04 18.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 6.92 3.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.93 3.78 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.4 HG11 ' O ' ' A' ' 47' ' ' LEU . 13.8 t -123.11 147.55 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.6 p30 -164.72 109.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -124.36 -43.96 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.648 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -16.79 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.497 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 5.6 m-20 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.671 ' N ' ' O ' ' A' ' 57' ' ' LEU . 87.2 m -55.5 -44.32 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 58' ' ' VAL . 3.6 mt -54.22 -31.53 53.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -86.43 6.9 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 60' ' ' THR . 29.1 t -56.46 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.73 -178.16 20.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -50.86 107.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.3 m-30 -112.96 -170.17 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.525 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 32.7 m -152.88 87.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.653 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 39.6 t -51.44 139.66 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.602 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.6 m-85 -133.69 66.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB1' ' CG1' ' A' ' 68' ' ' VAL . . . -100.85 129.07 28.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -138.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.69 ' HD3' ' ND1' ' A' ' 101' ' ' HIS . 18.4 Cg_endo -74.98 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.608 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 38.2 p -61.08 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.491 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 24.5 m120 -72.1 -47.26 52.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.67 -11.11 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.7 -52.32 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.684 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -79.48 -32.69 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -63.39 -24.48 67.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -65.65 -45.76 81.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 158' ' ' VAL . 57.9 mt -68.71 149.0 98.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 158.95 41.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.38 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -50.76 -41.74 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.426 ' CG2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -64.73 -47.68 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.17 -49.37 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.52 -19.68 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 2.2 tp10 -82.75 -46.9 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 7.2 mt -59.54 -18.38 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 89' ' ' THR . 4.5 mtmp? -89.51 16.98 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.45 30.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 92.4 m-20 -116.63 -73.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 1.2 t 67.37 8.97 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -134.66 -45.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -22.96 23.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.83 -44.67 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.409 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 50.6 m -52.55 -46.1 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.469 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.6 -39.92 62.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 98' ' ' LEU . 1.6 mt -64.59 -57.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -46.88 -61.08 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.444 ' O ' HG12 ' A' ' 102' ' ' VAL . 1.2 p -47.97 -44.26 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.3 t80 -68.49 -10.99 59.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.69 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.2 m-70 -98.55 16.42 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.462 ' CG1' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -153.8 129.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.602 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 45.4 t -108.81 146.72 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.92 106.07 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.1 97.53 0.92 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -48.92 145.52 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.487 ' HG1' ' NH2' ' A' ' 116' ' ' ARG . 19.4 m -160.31 151.34 19.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.449 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 2.8 p -86.04 165.88 31.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 3.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.95 -8.57 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' VAL . 12.2 m120 -123.15 -41.53 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 108' ' ' SER . 1.2 p -40.66 -33.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.75 124.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.15 172.1 13.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 m -66.47 106.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.487 ' NH2' ' HG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -103.54 -175.39 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.469 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 26.0 tt0 -136.2 115.88 12.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.474 HG22 ' CD1' ' A' ' 100' ' ' TYR . 74.2 p -75.4 147.7 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 102' ' ' VAL . 0.3 OUTLIER -44.87 -28.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -56.78 -55.22 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.18 -26.18 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.542 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.63 173.15 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.2 135.02 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.488 ' CG2' HG12 ' A' ' 135' ' ' VAL . 3.5 p -107.02 97.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 m -65.45 100.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.484 ' C ' ' CG2' ' A' ' 127' ' ' THR . 2.5 t -93.29 152.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.484 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -160.61 168.38 25.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.552 ' HB2' ' CB ' ' A' ' 140' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.512 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.4 mtpt -135.24 156.16 49.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.488 HG12 ' CG2' ' A' ' 124' ' ' VAL . 2.1 t -148.74 107.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.58 -48.1 0.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.512 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.8 OUTLIER -176.86 -33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -63.37 168.08 4.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.44 118.14 35.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.552 ' CB ' ' HB2' ' A' ' 133' ' ' LEU . 74.4 t -55.04 105.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.458 HG21 ' CA ' ' A' ' 155' ' ' ILE . 2.3 t -70.91 -50.14 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 39.0 t -160.8 109.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 108.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.44 174.98 16.6 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.96 78.63 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.519 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.7 t -92.92 50.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 54.9 m -39.03 123.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 3.2 p -89.61 -104.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 28' ' ' ASP . . . -100.22 -71.2 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -130.51 45.04 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 30' ' ' VAL . . . -176.72 135.36 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.69 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 53.8 m -68.74 171.79 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.7 t -135.74 127.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.69 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 75.1 m-85 -137.03 85.77 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.608 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.7 mtm -65.43 141.88 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.549 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -129.76 -178.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.92 38.84 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -163.63 141.48 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 159' ' ' LEU . 53.2 t -80.68 74.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.555 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 67.0 mt -33.48 151.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.3 mtp -141.11 144.87 36.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.469 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 134.08 17.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.542 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.465 HG11 ' CG ' ' A' ' 109' ' ' PRO . 4.2 p -142.78 151.95 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.76 147.72 22.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.993 -160.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.41 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -39.95 1.04 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.485 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -55.65 -64.98 3.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -39.07 -52.19 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 6' ' ' PRO . . . -39.94 -52.26 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' TYR . 4.2 mt-10 -80.65 -41.59 23.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 52.8 t80 -35.0 -66.51 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.91 -53.79 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.26 -42.26 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.77 -51.97 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -118.28 81.83 17.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.76 5.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.0 p -127.6 -165.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.43 174.43 48.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -10.32 21.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.0 -34.72 38.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -56.16 170.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.53 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 26.6 t -61.12 -69.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -55.48 -21.72 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.62 -63.69 3.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 14.4 ptp -58.93 -13.53 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 15.0 m -69.97 -28.33 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.89 8.27 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.83 164.06 42.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.58 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.98 144.29 30.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.793 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.593 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 10.0 p -24.9 -50.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -49.41 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' ALA . 11.8 t -40.11 -39.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.511 ' CB ' HG22 ' A' ' 147' ' ' THR . . . -47.78 -55.86 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 44' ' ' THR . . . -75.21 -16.08 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.464 ' N ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.68 33.68 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -143.74 -41.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -47.16 131.07 9.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 170.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -122.73 -2.25 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 14.3 mt -113.47 -35.52 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -32.77 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.3 m -65.69 -55.48 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.72 -49.51 74.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.629 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -48.47 -54.58 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -43.63 -38.31 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.29 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.629 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -45.15 -62.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.559 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 9.1 t -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.41 -21.53 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 7.7 mt-30 -43.25 -25.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -108.63 -45.68 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.581 ' CB ' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -108.9 99.47 35.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.0 12.71 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.2 mt-30 -126.63 5.47 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -126.06 179.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.487 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.4 p30 173.57 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.0 mm? -91.82 -22.97 19.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.559 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.5 t -34.1 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.571 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 10.1 t0 -48.1 -50.58 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.614 ' O ' ' CE2' ' A' ' 66' ' ' TYR . 53.3 m -60.68 -11.47 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.1 mt -101.51 -38.7 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.571 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 20.7 p-10 -83.49 46.69 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -169.6 109.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 93.55 127.68 4.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -47.51 111.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE2' ' O ' ' A' ' 60' ' ' THR . 4.1 m-30 -115.11 -174.17 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.532 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 51.0 m -152.0 85.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.593 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 94.7 t -50.92 135.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CE2' HG23 ' A' ' 103' ' ' VAL . 6.8 m-85 -125.99 70.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -100.29 127.78 32.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -136.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.702 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.01 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 33.5 p -56.5 165.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.87 69.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.5 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.451 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -76.13 -44.52 38.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.702 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 30.8 m-85 -66.11 -28.7 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -70.3 -47.43 61.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' SER . 25.5 mtpt -39.75 -36.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -50.78 163.34 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.99 8.27 2.49 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.784 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 76.37 -54.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.2 p -49.71 -44.41 48.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -53.36 -50.79 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 87' ' ' LEU . 32.9 mm -52.04 -65.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.438 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 6.3 m-20 -41.28 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.471 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 0.9 OUTLIER -75.9 -44.29 41.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ILE . 20.9 mt -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.76 -7.86 4.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 87' ' ' LEU . 10.2 t -144.14 42.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.496 ' ND2' HD23 ' A' ' 87' ' ' LEU . 95.9 m-20 -122.79 -50.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 40.1 31.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -151.12 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.42 -13.19 50.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -95.81 -52.8 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.29 -40.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.485 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.6 OUTLIER -63.46 -38.07 89.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' LEU . 5.0 mt -68.17 -56.26 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -50.5 -52.3 39.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 26.2 p -59.41 -44.59 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.652 ' CE2' ' O ' ' A' ' 160' ' ' MET . 50.7 t80 -66.38 -14.68 62.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.641 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.2 m-70 -91.61 20.36 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -154.82 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.612 HG23 ' CE2' ' A' ' 69' ' ' PHE . 97.7 t -105.86 141.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.9 103.69 15.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.27 101.13 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 134.38 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.471 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 15.5 m -153.32 134.54 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p -66.15 164.64 27.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.99 50.87 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 -45.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -98.77 -29.85 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.4 p -48.75 -29.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 51.1 t -64.77 128.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.46 -179.78 16.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.0 m -63.73 99.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.45 ' CB ' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -98.02 -177.0 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -135.43 116.65 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.405 ' CG2' HG12 ' A' ' 124' ' ' VAL . 69.2 p -78.58 168.22 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.491 ' CD2' HG11 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -65.76 -25.46 67.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 28.9 tp60 -73.84 -1.08 17.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 95.32 -52.03 1.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.485 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -45.07 163.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 p -101.79 151.64 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.45 HG13 ' CB ' ' A' ' 116' ' ' ARG . 3.7 p -125.58 96.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 136' ' ' GLY . 32.4 m -67.05 92.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 135' ' ' VAL . 16.5 t -80.12 164.23 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.7 m -156.1 173.12 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 133' ' ' LEU . 8.8 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.69 154.94 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 137' ' ' ASN . 2.5 t -140.16 103.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 125' ' ' THR . . . 63.71 -68.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.9 m120 -141.92 -41.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.528 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -60.3 177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -124.13 121.76 36.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.33 127.12 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.504 HG22 ' CA ' ' A' ' 155' ' ' ILE . 1.8 t -106.4 -34.86 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.611 ' SG ' ' CG2' ' A' ' 145' ' ' VAL . 14.9 t -161.63 98.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.566 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.96 156.75 15.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.8 18.68 53.99 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.611 ' CG2' ' SG ' ' A' ' 142' ' ' CYS . 5.4 t -91.59 64.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 4.5 m -55.0 129.33 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.552 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 16.7 p -87.47 -107.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.19 -37.44 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -157.54 35.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.565 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -167.93 136.24 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.689 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 52.3 m -79.06 171.49 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.43 ' O ' ' HA2' ' A' ' 143' ' ' GLY . 1.3 t -138.92 129.06 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.0 m-85 -135.78 86.32 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -57.46 146.38 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.528 ' HB ' ' CB ' ' A' ' 138' ' ' ALA . 0.4 OUTLIER -138.04 169.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 6.0 p-10 -110.61 47.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.518 ' HB2' ' CB ' ' A' ' 138' ' ' ALA . 4.4 m -175.82 149.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' A' ' 159' ' ' LEU . 71.6 t -81.56 68.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.536 ' C ' ' O ' ' A' ' 158' ' ' VAL . 1.6 tp -29.68 139.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.652 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.7 mtp -132.15 147.41 65.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.485 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 129.87 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -114.31 127.41 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.43 156.07 8.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.31 -44.16 89.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.85 -31.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.98 -69.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -50.16 74.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 52.9 t80 -38.72 -64.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.84 -43.09 6.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -74.31 -47.67 33.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -124.71 80.64 61.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.02 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -132.84 106.12 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . -175.01 -164.34 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.45 10.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 34.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.455 ' O ' ' CE ' ' A' ' 25' ' ' MET . 97.1 p -106.25 175.78 5.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.534 ' CG1' ' CG1' ' A' ' 145' ' ' VAL . 27.1 m -76.02 -15.16 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 26' ' ' SER . 48.5 tt0 -107.04 -52.48 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -48.88 -21.91 2.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.567 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 16.5 ptp -93.82 -19.23 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' GLN . 0.4 OUTLIER -58.88 -43.96 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.59 -18.54 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 89.2 m-20 -95.44 143.96 27.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.04 97.41 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.703 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.6 p 32.29 -120.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -9.06 -71.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 35' ' ' SER . 73.7 t -33.64 -60.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -36.94 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.93 -31.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.3 t -77.28 48.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 42.1 m-80 -166.0 -39.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -54.75 130.9 65.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 170.034 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.63 4.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' C ' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -119.51 -8.05 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 41.5 mt -109.82 -31.79 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.7 p -34.43 -37.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.58 -56.35 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.3 -47.98 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 6.8 m -46.23 -57.38 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.96 -42.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.99 -70.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.569 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -48.89 -63.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -38.11 -52.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.57 -25.38 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -41.03 -49.29 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -77.68 -48.18 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -115.05 90.45 23.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 8.84 2.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -111.28 4.63 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.505 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 6.4 p -154.3 158.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.9 p30 -150.97 129.99 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' ' C ' ' A' ' 58' ' ' VAL . 1.5 mm? -109.29 -48.51 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.611 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -21.68 -79.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.531 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.61 -55.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -57.71 -51.66 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -54.36 -33.37 58.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.91 52.26 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -115.72 -93.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.71 179.94 22.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mt-30 -58.33 106.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 12.4 m-30 -111.81 -170.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.514 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 26.0 m -152.04 86.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 46.3 t -52.12 137.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.0 m-85 -125.29 65.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -94.7 125.77 50.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -139.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.812 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.99 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 20.2 p -52.92 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.429 ' ND2' ' C ' ' A' ' 39' ' ' GLU . 1.5 m-80 -84.08 0.51 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.46 -12.83 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 157' ' ' SER . . . -79.19 -42.46 26.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.812 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.4 m-85 -77.06 -44.82 29.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -49.6 -23.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.48 -29.37 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 158' ' ' VAL . 31.5 mt -82.57 154.72 68.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.18 26.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.78 -48.41 4.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -42.91 -58.37 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.86 -47.15 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.84 -47.37 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -19.12 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 6.5 tp10 -84.84 -52.48 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.48 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 5.9 mt -54.66 -19.14 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.9 mttt -81.07 4.43 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.7 p -145.93 14.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 2.6 m-20 -117.77 156.0 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 91' ' ' SER . 2.8 t -149.37 18.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.02 -43.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.79 -36.12 23.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -74.22 -49.29 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.8 t -47.71 -43.13 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.518 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -51.81 -45.88 64.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -54.64 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 101' ' ' HIS . 2.3 mt -45.33 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.493 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 68.6 p -43.16 -49.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.7 t80 -58.77 -16.09 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.741 ' NE2' ' N ' ' A' ' 159' ' ' LEU . 18.7 m-70 -99.43 20.66 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.33 117.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 118' ' ' THR . 2.9 t -95.92 159.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.425 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -104.59 97.41 7.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.87 87.97 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.44 128.89 8.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.443 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 30.9 m -147.27 126.61 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.6 p -61.65 168.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.06 49.52 2.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.13 -45.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 113' ' ' VAL . 32.2 m-20 -98.23 -34.98 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.57 -29.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 111' ' ' ASN . 12.6 p -63.09 139.9 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.12 171.03 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 2.4 t -62.35 99.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 179.74 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 103' ' ' VAL . 42.3 tt0 -118.35 119.72 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.488 ' CG2' ' CG1' ' A' ' 124' ' ' VAL . 31.1 p -92.49 166.42 12.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 102' ' ' VAL . 16.2 mt -51.75 -58.65 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.493 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -38.51 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 107.62 -17.34 36.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.16 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.3 m -81.42 139.93 34.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 118' ' ' THR . 2.7 p -115.83 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 19.3 m -65.33 85.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.502 HG12 ' CG2' ' A' ' 135' ' ' VAL . 60.2 t -76.45 155.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.445 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -152.5 169.29 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 4.9 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.15 155.15 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 126' ' ' VAL . 1.6 t -150.25 123.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.87 47.02 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.5 t-20 87.74 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -50.07 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.74 114.15 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 42.2 t -56.44 102.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.3 t -70.31 -49.04 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 11.0 t -155.13 105.54 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.43 167.17 12.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.64 17.69 67.68 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.534 ' CG1' ' CG1' ' A' ' 22' ' ' VAL . 1.6 t -85.42 51.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.3 m -43.67 128.98 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.498 ' CG2' ' SD ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -98.04 -103.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.61 -75.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -125.41 46.33 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.472 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -178.36 143.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.565 HG21 ' CE2' ' A' ' 153' ' ' TYR . 19.5 m -81.59 176.09 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.443 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.8 t -142.96 125.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.565 ' CE2' HG21 ' A' ' 151' ' ' THR . 91.2 m-85 -133.47 91.72 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 2.2 mtm -61.79 140.69 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.601 ' CD1' ' O ' ' A' ' 157' ' ' SER . 1.0 OUTLIER -140.66 172.39 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.5 p-10 -114.43 49.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.601 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 0.8 OUTLIER -173.44 121.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.78 ' CG2' ' O ' ' A' ' 158' ' ' VAL . 0.9 OUTLIER -69.91 70.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.741 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 1.8 mp -25.48 143.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.725 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.63 144.58 53.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.518 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.95 113.16 3.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 109' ' ' PRO . 33.4 m -117.34 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.16 151.71 8.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -52.13 -47.45 55.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -41.68 -51.84 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.37 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -53.31 -54.45 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 72.1 t80 -37.36 -66.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.82 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.05 -42.83 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.73 -50.21 26.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -120.63 90.05 45.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.53 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.1 p -146.76 -176.73 5.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.3 -154.45 16.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -32.93 4.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -76.77 -117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ALA . 11.0 m 42.05 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.508 ' CB ' HG12 ' A' ' 145' ' ' VAL . 32.6 m -92.78 -29.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' N ' HG21 ' A' ' 22' ' ' VAL . 10.6 tp60 -90.52 -28.3 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -61.49 -15.43 46.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.515 ' CE ' HG13 ' A' ' 145' ' ' VAL . 15.5 ptp -110.18 -17.67 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' ' C ' ' A' ' 147' ' ' THR . 58.6 m -73.97 -15.42 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -92.82 7.92 41.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.91 170.09 10.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.98 143.43 29.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.61 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 14.2 p -28.12 -41.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -55.11 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' SER . 40.8 t -42.34 -37.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 147' ' ' THR . . . -45.26 -30.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.05 -29.67 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 32' ' ' VAL . 17.5 t -67.54 -8.39 33.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -90.26 -55.4 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 1.3 t-20 -53.72 139.88 49.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -167.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 1.9 mm-40 -124.89 1.74 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 29.7 mt -117.53 -33.4 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.4 p -34.84 -43.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.45 -54.06 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.88 -40.41 84.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.554 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 18.5 m -51.12 -56.23 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.494 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.35 -33.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' HG21 ' A' ' 55' ' ' VAL . . . -70.51 -73.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.511 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 54.0 p -47.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.16 -21.94 0.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 5.5 mt-30 -38.39 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.49 -55.06 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.503 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -125.95 129.03 24.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.95 0.71 10.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 52' ' ' ASN . 3.6 m -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.4 p30 -138.17 98.21 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.7 mm? -87.96 -31.57 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.511 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 41.6 t -36.25 -65.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -39.91 -40.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 7.8 m -78.2 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 66' ' ' TYR . 46.8 mt -32.96 -46.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -81.94 50.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.9 t -114.37 -91.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -118.36 -175.51 16.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -52.18 106.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 5.0 m-30 -113.63 -175.08 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 37.2 m -152.21 88.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.61 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 4.8 t -52.51 141.6 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE2' HG23 ' A' ' 103' ' ' VAL . 10.2 m-85 -130.36 66.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -98.91 130.32 27.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -137.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.781 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.98 127.64 10.86 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 155' ' ' ILE . 37.1 p -74.98 173.6 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 5.6 m120 -61.82 -29.95 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.61 -0.99 52.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HB2' ' CA ' ' A' ' 157' ' ' SER . . . -95.86 -44.57 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.781 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.6 m-85 -71.07 -30.96 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -60.37 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.9 mt -56.15 149.7 34.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.46 35.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.28 -51.59 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -41.41 -50.82 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -48.25 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.37 -59.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.56 -24.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -78.97 -48.52 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 87' ' ' LEU . 4.6 mt -50.82 -22.63 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -91.85 27.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 6.5 t -174.83 35.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 93.0 m-20 -119.0 -73.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 t 69.77 12.3 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 m -136.84 -44.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -93.98 -20.12 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -86.15 -45.63 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -52.61 -45.29 66.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.559 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.45 -39.15 60.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.453 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 2.0 mt -65.16 -60.08 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' O ' HG21 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -47.88 -58.27 4.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.538 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 2.1 p -48.89 -49.45 39.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.755 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.1 t80 -59.91 -24.7 64.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.661 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 64.5 m-70 -82.75 21.29 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 101' ' ' HIS . 2.0 t -153.36 141.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.597 HG23 ' CE2' ' A' ' 69' ' ' PHE . 31.2 t -129.15 128.78 67.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.58 98.0 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' NH2' ' A' ' 116' ' ' ARG . . . 139.62 107.87 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 131.68 44.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.8 m -154.35 127.97 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.425 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.4 p -59.07 168.63 1.45 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CB ' HG23 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 50.12 2.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.18 -45.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 9.6 m120 -99.71 -27.79 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.2 p -53.59 -19.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 114' ' ' GLY . 57.6 t -60.77 148.04 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.435 ' N ' HG12 ' A' ' 113' ' ' VAL . . . 87.78 -177.68 46.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.32 127.69 32.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.516 ' CD ' HG13 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -128.45 136.18 50.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -81.6 127.22 32.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.741 ' CG2' ' CG2' ' A' ' 124' ' ' VAL . 9.6 p -102.13 163.19 12.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.8 OUTLIER -59.64 -21.15 60.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.538 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 29.9 tp60 -69.8 -36.69 75.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -27.39 5.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -75.98 172.22 13.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 p -109.2 150.36 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.741 ' CG2' ' CG2' ' A' ' 118' ' ' THR . 0.1 OUTLIER -112.8 110.75 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.6 m -69.13 73.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.492 HG12 ' CG2' ' A' ' 135' ' ' VAL . 16.5 t -67.72 159.75 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.446 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -160.53 171.02 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.641 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 20.7 mttt -134.26 159.61 40.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.496 ' CG1' HD23 ' A' ' 159' ' ' LEU . 2.1 t -156.96 133.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 35.78 43.37 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.5 t-20 87.72 -47.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -46.45 172.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 17.8 m-20 -117.28 122.59 44.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.641 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 63.8 t -59.99 123.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.67 -53.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.408 ' SG ' HG23 ' A' ' 145' ' ' VAL . 26.2 t -149.91 103.02 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.23 160.61 13.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.19 23.97 38.85 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.515 HG13 ' CE ' ' A' ' 25' ' ' MET . 2.6 t -95.16 66.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.0 m -52.74 128.14 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 4.8 p -88.12 -108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.15 -41.15 4.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -151.95 41.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.542 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -177.5 151.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.59 HG23 ' CE2' ' A' ' 153' ' ' TYR . 32.9 m -89.21 173.96 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.431 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -140.18 128.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.59 ' CE2' HG23 ' A' ' 151' ' ' THR . 91.7 m-85 -135.69 89.46 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.524 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 6.5 mtm -62.62 143.89 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -133.68 173.63 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 1.3 p-10 -110.16 38.5 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.7 OUTLIER -168.83 152.72 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 160' ' ' MET . 89.0 t -73.26 13.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.651 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 8.6 mt 51.08 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.755 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 33.4 mtp 82.06 140.89 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.559 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.93 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -136.02 165.03 30.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.67 154.55 15.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.54 1.15 . . . . 0.0 111.06 -170.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.457 1.767 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.72 -38.96 10.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.01 -50.11 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.21 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -54.1 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.6 t80 -40.3 -55.3 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.03 -47.52 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.87 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.38 -45.91 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -124.31 73.69 59.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.0 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' GLY . 13.6 p -115.8 -16.8 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.86 174.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -95.37 -1.75 50.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.2 p -68.43 166.35 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.492 ' CG2' HG11 ' A' ' 145' ' ' VAL . 17.5 t -58.36 -27.85 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' SER . 55.2 tt0 -92.06 -47.45 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.77 -22.9 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.448 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 13.7 ptp -99.86 -24.09 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' GLN . 22.8 t -61.77 -15.97 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.19 25.84 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 148' ' ' ALA . 24.6 m-20 -148.36 153.03 40.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.653 ' O ' ' C ' ' A' ' 31' ' ' ALA . 3.1 p 27.5 -106.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.653 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -18.08 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.621 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 54.3 t -30.52 -55.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.644 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -42.9 -62.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -46.22 -24.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -79.61 46.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -154.11 -46.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 40' ' ' LEU . 29.1 t-20 -48.39 131.78 13.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 8.08 2.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 1.1 mm-40 -128.0 3.67 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 37' ' ' ASN . 34.9 mt -118.87 -29.55 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 53.6 p -36.23 -40.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -63.17 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.55 -48.21 82.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.552 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.2 m -49.35 -58.07 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.28 -37.09 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.515 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . . . -66.7 -73.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.552 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -43.57 -59.55 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 1.1 p -43.96 -66.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.497 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 148.79 -21.1 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.09 -24.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.52 -44.7 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.597 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -123.01 106.08 34.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -115.9 -2.45 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.597 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -126.76 149.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 2.8 p30 -159.66 101.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' THR . 0.4 OUTLIER -109.63 -27.07 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 2.8 p -33.54 -56.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.17 -39.15 89.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' LEU . 64.1 m -62.97 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 2.2 mm? -30.79 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' THR . 55.6 t30 -82.2 50.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -91.85 -84.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -156.62 118.85 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.54 ' O ' ' O ' ' A' ' 64' ' ' GLY . 14.2 mt-30 37.81 99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 63' ' ' SER . 2.6 m-85 -122.84 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.496 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 23.8 m -152.49 85.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 30' ' ' VAL . 13.6 t -52.64 133.5 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 103' ' ' VAL . 7.2 m-85 -120.9 65.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -93.9 128.07 42.87 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -138.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.69 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.04 119.97 5.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 66.3 p -67.62 177.73 1.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.403 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 9.3 m120 -61.03 -55.98 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.51 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 157' ' ' SER . . . -74.99 -51.8 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.69 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 24.4 m-85 -68.38 -37.54 80.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -42.48 76.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.7 mtmt -40.67 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' LYS . 9.6 mt -39.69 150.13 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.86 59.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.84 -46.51 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -53.03 60.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.8 mm -56.23 -41.63 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.18 -16.89 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -88.33 -39.33 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.557 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 5.7 mt -60.45 -35.45 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -76.26 34.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' LEU . 1.4 t -171.1 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.457 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.2 m-20 -43.59 -71.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 17.3 t 65.42 21.15 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.39 -45.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.48 -25.46 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.554 ' CD2' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -83.65 -50.8 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 99' ' ' THR . 7.3 m -47.67 -45.09 27.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 2.0 m -56.88 -37.86 71.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 94' ' ' LEU . 6.7 mt -65.04 -61.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -38.95 -63.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.548 ' CG2' HD23 ' A' ' 119' ' ' LEU . 63.0 p -47.09 -48.56 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.672 ' CE2' ' O ' ' A' ' 160' ' ' MET . 25.2 t80 -63.62 -12.97 37.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.667 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 11.7 m-70 -97.4 21.48 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -155.36 135.71 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 69' ' ' PHE . 19.4 t -117.63 134.68 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.42 95.96 9.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.19 86.39 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.426 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -43.53 138.9 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.404 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 33.3 m -152.58 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.588 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 52.3 p -73.05 159.85 84.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.98 49.53 2.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.85 19.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.4 m120 -156.74 -52.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.7 -40.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 111' ' ' ASN . 13.8 p -38.8 149.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 113' ' ' VAL . . . 88.01 -172.41 41.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 m -62.45 127.67 32.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.363 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.487 ' CG ' HG13 ' A' ' 103' ' ' VAL . 3.4 tpm_? -140.4 126.68 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -69.09 125.27 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.494 ' CG2' HG12 ' A' ' 124' ' ' VAL . 18.0 p -99.5 177.78 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.448 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.548 HD23 ' CG2' ' A' ' 99' ' ' THR . 0.9 OUTLIER -54.95 -61.24 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.486 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -38.13 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.32 -21.77 21.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.489 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -66.84 -175.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.2 m -120.18 138.37 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.494 HG12 ' CG2' ' A' ' 118' ' ' THR . 7.2 p -112.22 118.85 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.2 m -80.38 79.11 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.43 HG12 ' CG2' ' A' ' 135' ' ' VAL . 38.9 t -64.33 158.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 m -147.63 169.99 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 133' ' ' LEU . 8.7 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.78 159.37 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 137' ' ' ASN . 1.8 t -147.16 114.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.26 -80.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' VAL . 4.9 m120 -147.21 20.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -117.46 177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 0.4 OUTLIER -118.7 124.55 47.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.58 128.68 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.5 t -101.53 -46.14 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.5 t -156.1 100.53 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.37 164.14 12.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.39 23.33 58.82 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.492 HG11 ' CG2' ' A' ' 22' ' ' VAL . 1.6 t -90.66 52.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 22.8 m -40.84 124.59 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.495 HG22 ' CB ' ' A' ' 33' ' ' ALA . 1.8 p -90.24 -102.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -100.6 -64.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -134.82 27.59 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.526 ' HB2' ' CB ' ' A' ' 66' ' ' TYR . . . -154.88 149.77 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.58 HG23 ' CE2' ' A' ' 153' ' ' TYR . 44.0 m -86.17 175.99 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.0 OUTLIER -142.27 127.11 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 151' ' ' THR . 89.5 m-85 -135.28 90.48 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.482 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 3.8 mtm -62.72 138.89 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.48 ' O ' ' OG1' ' A' ' 72' ' ' THR . 9.4 pt -129.58 165.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 8.3 p-10 -108.98 43.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.432 ' N ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -169.59 135.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 159' ' ' LEU . 54.4 t -74.18 77.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.61 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.3 tp -37.37 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.672 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.1 mtt -144.93 146.85 32.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.416 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.01 142.78 28.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.438 HG22 ' CB ' ' A' ' 109' ' ' PRO . 34.7 m -133.07 139.15 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.33 152.92 9.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -43.28 -33.24 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.19 -31.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.18 -72.06 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -42.93 -52.0 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.3 t80 -44.23 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 14' ' ' ALA . . . -47.81 -48.44 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.9 -28.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -97.59 -37.8 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -130.37 84.73 58.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -109.62 -161.56 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.75 178.24 51.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.97 -10.57 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.552 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -78.56 -35.06 46.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -46.06 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 145' ' ' VAL . 25.5 t -64.32 -44.42 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -78.52 -35.04 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.71 -59.97 9.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.543 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 11.5 ptp -55.63 -22.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -60.13 -19.33 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -89.12 -18.88 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 67.4 m-20 -92.83 146.61 32.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.538 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.703 ' O ' ' C ' ' A' ' 31' ' ' ALA . 11.1 p 31.28 -121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.87 -72.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.538 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 74.1 t -30.11 -62.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.3 -64.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -49.38 -52.99 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 32' ' ' VAL . 40.2 t -46.48 -23.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.552 ' N ' HD21 ' A' ' 36' ' ' ASN . 0.7 OUTLIER -132.93 28.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.9 132.11 35.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 139.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 10.83 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.668 ' C ' HD21 ' A' ' 40' ' ' LEU . 2.2 mt-10 -119.47 -19.14 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.892 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.33 -4.91 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 82.8 p -34.92 -43.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.542 HG23 ' CD1' ' A' ' 76' ' ' PHE . 60.1 m -65.32 -52.16 55.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 3.7 tp -45.98 -61.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.519 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -45.61 -65.69 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -31.02 -42.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -63.62 -66.15 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HG ' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -60.09 -62.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.484 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 6.9 p -36.71 -49.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 124.29 -25.4 6.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -38.38 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.498 ' CD1' ' HG2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -85.59 -65.49 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.94 121.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.05 5.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -111.38 7.29 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 76.8 t -125.88 138.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.1 p30 -157.78 119.57 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.616 ' O ' ' C ' ' A' ' 58' ' ' VAL . 11.7 mt -128.82 -45.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -20.21 -80.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.529 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 1.7 m-20 -35.74 -56.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' LEU . 71.9 m -54.78 -62.19 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -42.18 -32.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 7.3 t-20 -92.15 54.35 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 t -122.54 -91.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -96.91 169.57 25.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -53.68 105.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 6.6 m-30 -111.19 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.538 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 42.0 m -152.75 90.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.602 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 5.1 t -52.97 141.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.6 m-85 -133.46 63.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HB1' ' CG1' ' A' ' 68' ' ' VAL . . . -100.26 131.9 23.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -137.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.716 ' HD3' ' ND1' ' A' ' 101' ' ' HIS . 18.2 Cg_endo -75.0 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.644 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 25.1 p -57.01 -160.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 3.8 p30 -77.7 -39.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.27 36.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.65 -68.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.715 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 62.7 m-85 -58.54 -27.39 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -65.28 -36.51 84.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -57.96 -61.47 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 ' CG1' ' A' ' 158' ' ' VAL . 25.0 mt -46.59 147.93 1.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.67 43.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -45.61 63.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.88 -52.62 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.31 -48.18 77.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.75 -48.91 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -17.35 26.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.21 -47.02 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 HD21 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -57.65 -18.76 22.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 12.8 mttm -90.06 18.51 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 t -170.29 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.434 ' ND2' HD21 ' A' ' 87' ' ' LEU . 95.2 m-20 -116.2 -73.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.471 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER 75.61 -56.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.6 p -90.05 46.33 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.04 -48.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -65.82 -38.42 88.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.424 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.3 m -54.0 -40.69 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -55.83 -39.36 71.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 98' ' ' LEU . 1.3 mt -66.56 -59.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' CD2' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -44.22 -63.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.495 ' OG1' ' CG ' ' A' ' 120' ' ' GLN . 67.6 p -46.04 -49.53 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.459 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.2 t80 -59.65 -20.24 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.716 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 25.3 m-70 -89.92 22.29 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.495 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 2.8 t -152.24 150.78 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.614 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 99.8 t -133.75 136.78 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 100.7 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.08 95.27 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.434 ' NE2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -51.5 140.48 17.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.457 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 7.0 m -153.81 150.75 28.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.3 p -85.48 161.84 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.438 ' CB ' HG22 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.01 46.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.29 20.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 112' ' ' VAL . 18.3 m120 -153.73 -52.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.37 -44.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 111' ' ' ASN . 42.9 t -42.68 124.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 135.04 -179.44 17.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 65.8 m -72.74 70.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' CB ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -71.12 176.52 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.44 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 24.2 tt0 -126.66 123.66 38.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.404 HG23 HG23 ' A' ' 103' ' ' VAL . 80.9 p -86.37 149.96 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.495 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -47.95 -28.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.495 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 16.6 tm0? -57.09 -51.0 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 141.71 -28.46 2.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.05 178.45 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.82 134.03 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.449 HG12 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -104.58 108.11 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.7 m -74.7 81.49 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.445 HG12 ' CG2' ' A' ' 135' ' ' VAL . 43.9 t -72.26 146.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.63 -177.14 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 133' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -127.47 161.4 28.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.49 HG11 ' CD1' ' A' ' 159' ' ' LEU . 1.4 t -150.48 94.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 79.67 -22.99 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 3.2 m-20 155.82 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.553 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -69.34 168.93 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' VAL . 11.8 m-20 -113.31 107.87 16.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.6 t -47.07 96.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.6 t -59.69 -47.12 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 42.4 t -162.18 108.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.237 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.82 173.82 16.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.63 19.86 79.74 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.483 HG12 ' CG1' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -90.46 50.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 43.1 m -39.1 118.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 2.3 p -81.23 -105.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.31 -68.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -130.8 46.42 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.541 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -178.97 137.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.721 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 94.4 m -70.26 168.19 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -133.92 128.3 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.721 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.8 m-85 -136.63 86.76 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.644 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.3 OUTLIER -63.2 138.62 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 157' ' ' SER . 1.5 pp -133.71 160.63 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -106.29 50.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.569 ' O ' HD12 ' A' ' 155' ' ' ILE . 0.9 OUTLIER -166.98 131.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.052 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 79' ' ' LEU . 78.1 t -75.07 70.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.49 ' CD1' HG11 ' A' ' 135' ' ' VAL . 30.4 mt -33.98 150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.689 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.1 mtt -142.29 145.03 33.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.48 24.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 m -119.36 121.73 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.26 152.38 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 -176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -41.32 -46.02 4.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -40.02 -30.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -73.63 -69.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -53.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' GLY . 68.2 t80 -48.18 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.52 -48.48 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.08 -32.56 15.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.54 -42.62 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -127.41 77.06 76.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p -121.64 173.34 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.41 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 104.85 -171.93 19.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.98 18.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -97.1 39.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 0.7 OUTLIER -115.25 -172.28 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 32.8 t -78.56 -48.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -20.61 29.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.29 -46.74 25.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.552 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 9.4 ptp -63.64 -9.99 16.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -43.15 78.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.51 -12.11 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.476 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 61.2 m-20 -100.12 143.71 27.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.94 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.695 ' O ' ' C ' ' A' ' 31' ' ' ALA . 13.8 p 31.21 -124.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -7.79 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 35' ' ' SER . 83.3 t -29.6 -61.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -31.14 -56.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.54 ' CA ' ' HB2' ' A' ' 40' ' ' LEU . . . -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -55.12 -17.61 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.479 HD21 ' N ' ' A' ' 36' ' ' ASN . 1.5 m-80 -97.47 -34.99 10.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.496 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 2.4 m-20 -60.94 131.38 91.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 174.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 8.07 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.675 ' C ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -120.07 -18.78 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.908 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.7 -10.26 16.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -39.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.582 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 5.2 t -70.7 -45.81 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -51.57 -68.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.565 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -46.53 -63.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.45 -41.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.2 -70.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -50.79 -60.87 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.532 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.12 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.9 -21.28 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.0 mt-30 -46.15 -22.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -112.42 -44.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -113.49 91.39 20.16 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -129.55 3.15 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 8.4 p -150.23 150.95 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -150.91 104.5 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 60' ' ' THR . 8.4 mp -104.55 -32.54 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.532 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 12.8 p -37.88 -57.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -46.86 -43.35 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.3 m -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.0 mt -34.14 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 60' ' ' THR . 0.8 OUTLIER -87.58 53.18 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -124.43 -88.85 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.48 -175.98 40.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 mp0 -76.02 105.93 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.538 ' HB2' ' HB3' ' A' ' 150' ' ' ALA . 15.4 m-30 -112.87 -168.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.524 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.67 92.85 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 43.7 t -51.72 138.08 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 7.5 m-85 -130.07 70.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -106.91 126.9 29.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -135.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.769 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.99 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.565 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 62.7 p -61.83 -159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -90.46 4.44 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.49 -1.96 20.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.55 -60.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.769 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 59.1 m-85 -55.78 -19.65 12.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -16.62 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.34 -48.02 62.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.47 151.77 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.51 36.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.76 -42.85 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 t -48.64 -42.01 32.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -47.03 66.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -62.67 -55.16 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -49.32 -24.77 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.0 tp10 -82.3 -47.11 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.489 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -53.77 -20.98 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' CD ' ' HA ' ' A' ' 85' ' ' ASP . 1.3 mtpm? -86.15 8.87 19.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' GLU . 73.1 p -144.45 13.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.489 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 1.1 m-20 -121.44 161.05 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.63 20.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.96 -45.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.053 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -29.79 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -82.17 -47.12 12.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.534 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -49.8 -45.73 50.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 11.3 p -49.71 -40.8 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.519 HG21 ' CD2' ' A' ' 101' ' ' HIS . 1.1 mt -67.42 -58.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -48.23 -56.54 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.7 p -49.11 -48.61 44.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.76 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.9 t80 -65.25 -11.58 42.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.68 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.0 m-70 -95.56 22.89 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -161.26 131.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.558 ' CG1' ' NH2' ' A' ' 116' ' ' ARG . 2.5 t -109.64 163.15 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -105.17 101.86 11.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 126.79 91.66 0.79 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -45.36 134.77 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.2 m -143.57 147.84 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.643 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 5.9 p -87.65 161.86 43.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HG3' ' HA3' ' A' ' 144' ' ' GLY . 18.2 Cg_endo -74.99 46.9 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.67 15.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 113' ' ' VAL . 79.6 m-20 -152.73 -53.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.643 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.33 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 111' ' ' ASN . 84.4 t -43.28 141.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.408 ' N ' HG11 ' A' ' 113' ' ' VAL . . . 119.46 -107.44 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 1.9 m -147.81 97.34 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.558 ' NH2' ' CG1' ' A' ' 103' ' ' VAL . 2.9 mmm180 -81.61 170.23 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -119.33 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.54 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 73.4 p -53.86 143.12 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.62 ' C ' ' CD2' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -50.89 -20.65 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.585 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -63.56 -51.07 66.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.27 -14.81 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.28 156.07 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.484 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 37.0 p -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.616 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -125.89 103.1 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.9 m -65.96 88.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 113' ' ' VAL . 15.8 t -85.33 149.19 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.67 170.32 15.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 133' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -129.31 163.64 25.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' ALA . 1.2 t -165.66 128.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 44.17 36.1 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 11.2 t-20 89.33 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -58.96 -179.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.83 121.21 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 91.0 t -58.13 111.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.478 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -79.3 -42.64 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.2 t -165.43 106.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.33 164.76 12.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.412 ' HA3' ' HG3' ' A' ' 109' ' ' PRO . . . 86.65 14.92 64.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.523 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.8 t -87.36 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 41.2 m -37.29 112.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.4 p -79.42 -101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.24 -83.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.81 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 66' ' ' TYR . . . 175.27 150.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.695 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 42.5 m -81.94 172.41 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.523 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.5 t -132.23 124.3 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.695 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 67.6 m-85 -135.51 81.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.565 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 11.8 mtm -58.28 147.0 32.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.5 167.13 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -103.5 32.48 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.7 OUTLIER -161.37 151.76 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.575 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 56.1 t -75.22 14.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 13.7 mt 51.43 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.76 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 84.1 139.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.06 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 109' ' ' PRO . 6.7 m -120.62 127.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.37 154.62 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -174.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -64.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.18 -40.55 7.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -28.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.2 -74.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -52.93 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 40.2 t80 -37.82 -65.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.68 -46.71 7.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.58 -40.08 37.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.85 -48.2 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -121.45 86.27 43.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 p -128.24 146.89 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -165.99 25.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -27.44 10.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -89.26 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -122.19 177.19 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.484 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 42.8 t -68.68 -22.73 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -99.64 -46.49 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.52 -23.15 8.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.535 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 14.5 ptp -90.58 -13.04 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.435 ' HA ' ' C ' ' A' ' 147' ' ' THR . 30.7 t -76.52 -50.15 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.32 -22.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.93 166.52 10.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 18.4 Cg_endo -75.0 161.39 38.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.9 p -38.23 -31.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -66.64 -96.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 31' ' ' ALA . 17.4 t -37.5 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' MET . . . -40.44 -41.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -87.09 -34.23 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.6 t -57.07 -15.74 5.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -81.33 -40.5 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -68.9 134.03 90.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -170.053 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.03 3.67 5.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.486 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 2.8 mt-10 -117.68 -2.63 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 70' ' ' ALA . 68.6 mt -114.93 -29.77 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.5 -33.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.529 HG23 ' CD2' ' A' ' 76' ' ' PHE . 1.2 m -69.4 -54.15 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.514 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.95 -56.89 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.572 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 24.8 m -46.17 -56.06 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -44.14 -39.79 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' CA ' ' OD1' ' A' ' 52' ' ' ASN . . . -63.72 -69.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.572 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -48.16 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.516 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 2.5 t -43.29 -70.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.3 -21.1 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.5 mt-30 -45.38 -23.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.96 -45.05 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.534 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -113.25 90.8 17.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.99 22.62 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.48 3.06 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -149.95 145.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.0 p30 -145.85 93.5 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 60' ' ' THR . 7.0 mp -84.65 -19.81 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 3.5 t -40.53 -61.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.85 -35.88 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 57' ' ' LEU . 28.2 m -75.21 -65.95 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 19.1 mt -35.73 -34.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.534 ' ND2' ' HB2' ' A' ' 29' ' ' PRO . 12.7 m120 -88.11 48.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 2.5 t -107.01 -93.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.634 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.49 -175.54 15.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -48.43 104.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -110.5 -176.27 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.53 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 41.4 m -152.12 89.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 4.0 t -54.55 143.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 14.0 m-85 -133.25 62.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -97.29 128.62 34.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -137.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.8 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 115.12 4.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.5 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 9.1 p -65.75 -173.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.486 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -73.72 -3.81 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.01 -18.05 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -82.18 -55.21 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 64.8 m-85 -68.19 -34.62 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -55.63 -31.01 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' LEU . 10.8 mtpp -59.88 -72.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -38.69 157.56 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 139.91 24.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.56 -43.37 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -58.26 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -51.71 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.462 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.2 mm -57.14 -47.12 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.13 -14.13 33.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.13 -37.53 14.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' ND2' ' A' ' 90' ' ' ASN . 3.7 mt -68.52 -8.86 45.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.462 ' CE ' HG22 ' A' ' 84' ' ' ILE . 9.2 mtmt -94.02 28.54 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 90' ' ' ASN . 1.2 t -170.54 -40.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 89' ' ' THR . 92.8 m-20 -35.8 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' A' ' 91' ' ' SER . 0.1 OUTLIER 70.0 11.92 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 m -136.45 -44.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -26.06 20.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.491 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -80.2 -46.43 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.431 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.7 t -48.08 -47.29 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.487 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -51.3 -38.58 53.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -68.55 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.508 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 1.4 mt -41.45 -60.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.456 ' OG1' ' CG ' ' A' ' 120' ' ' GLN . 20.9 p -48.66 -47.69 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.663 ' CE2' ' O ' ' A' ' 160' ' ' MET . 8.8 t80 -64.66 -14.47 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.759 ' NE2' ' C ' ' A' ' 158' ' ' VAL . 8.2 m-70 -93.29 15.22 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.476 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 2.9 t -143.98 147.87 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.633 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 61.1 t -132.59 133.7 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 94.47 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 146.86 108.39 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.412 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.8 110.0 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 110.302 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.468 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 38.0 m -126.79 136.6 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.595 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 3.4 p -68.25 163.31 53.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CB ' HG23 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.96 46.33 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -148.94 17.61 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.9 m-80 -152.64 -50.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.595 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -32.27 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 111' ' ' ASN . 98.1 t -47.68 146.7 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.43 -112.0 2.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 51.1 m -151.41 108.01 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.451 ' NH2' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.8 -174.01 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.27 102.37 7.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 124' ' ' VAL . 43.7 p -63.06 140.74 58.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.476 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -40.34 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -55.11 -59.56 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 148.58 -22.35 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.483 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -85.56 160.26 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.483 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 2.9 p -88.1 144.64 26.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 3.3 p -113.24 118.25 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -78.18 106.07 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.539 HG13 ' CG2' ' A' ' 135' ' ' VAL . 47.4 t -100.08 154.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 126' ' ' VAL . 2.4 m -146.44 168.57 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.411 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 133' ' ' LEU . 9.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.93 158.83 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.539 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.4 t -156.91 116.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.572 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.39 41.81 32.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.0 t30 88.75 -36.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.457 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -55.73 173.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.81 120.92 37.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.28 92.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.5 t -62.32 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.4 t -143.24 105.57 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.15 161.43 12.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.44 21.81 46.68 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.489 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.9 t -93.97 55.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.3 m -44.43 134.67 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 6.6 p -93.8 -110.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -102.82 -40.77 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -156.36 42.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.533 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -174.02 136.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.698 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 85.7 m -75.11 170.34 16.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.489 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -136.69 127.45 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -137.02 86.47 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 46.0 mtm -67.15 115.94 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.613 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -105.54 178.17 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.451 ' O ' ' OG ' ' A' ' 157' ' ' SER . 10.5 p-10 -112.84 45.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.646 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -172.15 125.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.759 ' C ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -68.23 16.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.646 ' H ' ' C ' ' A' ' 157' ' ' SER . 37.9 mt 34.52 -158.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.663 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 171.46 143.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.487 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 136.78 20.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CD1' ' SG ' ' A' ' 8' ' ' CYS . 3.8 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -137.81 6.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.4 151.59 17.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -169.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.98 -45.2 5.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -46.9 -39.55 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' PRO . . . -48.85 -57.05 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -75.17 -41.32 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.8 t80 -36.56 -65.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.89 -48.04 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.9 -39.07 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -85.88 -49.68 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -119.76 83.5 29.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -131.1 -161.54 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.51 -174.81 45.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.03 21.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -93.93 16.91 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.7 p -92.13 162.91 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.432 ' CG1' HG11 ' A' ' 145' ' ' VAL . 3.5 m -69.35 -12.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 26' ' ' SER . 5.3 tp60 -107.27 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -42.93 23.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.441 ' SD ' HG22 ' A' ' 147' ' ' THR . 17.3 ptp -64.75 -16.97 63.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 8.6 t -65.27 -57.86 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.6 -21.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -91.84 144.87 30.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.6 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.0 102.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 29' ' ' PRO . 2.3 p 24.05 -90.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.598 ' H ' ' CG1' ' A' ' 30' ' ' VAL . . . -23.63 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.53 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 60.8 t -37.83 -49.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -45.8 -49.51 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.476 ' CB ' HG23 ' A' ' 44' ' ' THR . 13.0 m -86.76 37.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -145.24 -43.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -48.71 134.11 13.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 173.372 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 3.32 5.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.95 -4.01 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 16.0 mt -113.5 -33.86 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' LEU . 2.1 p -32.39 -38.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.8 m -65.49 -57.22 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.66 -47.27 80.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.581 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -48.98 -52.52 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -45.24 -37.13 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.59 -69.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.581 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -48.66 -63.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.504 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 91.1 p -41.72 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 149.33 -21.16 1.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.72 -43.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -55.04 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -129.68 128.05 22.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 5.59 3.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -106.98 3.06 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.83 142.25 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.1 p30 -164.5 105.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -111.28 -23.72 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 22.0 t -34.8 -40.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.29 -57.08 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 76.0 m -56.78 -60.68 3.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.04 -34.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -91.38 55.2 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 t -172.98 109.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.04 144.27 10.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -61.88 110.32 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.3 m-30 -113.94 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.544 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 45.1 m -150.86 87.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 70' ' ' ALA . 76.9 t -51.09 134.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 103' ' ' VAL . 9.1 m-85 -128.68 68.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.494 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -96.52 130.62 30.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -139.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.72 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 23.6 p -66.53 170.57 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.65 -23.17 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.63 -21.16 38.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.89 -46.92 22.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.72 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 50.4 m-85 -72.13 -39.64 68.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -57.72 -35.86 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.453 ' NZ ' ' OG ' ' A' ' 157' ' ' SER . 26.4 mtpt -52.42 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.7 mt -47.49 151.99 1.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 142.82 28.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.35 -46.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -56.3 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -47.66 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.5 mm -62.44 -59.37 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.73 -27.43 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 90' ' ' ASN . 7.9 tp10 -75.01 -46.13 37.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.455 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 5.0 mt -56.1 -19.69 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 20.1 mttt -90.91 10.19 27.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.0 t -144.37 13.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 7.2 m-20 -115.38 -150.47 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 95' ' ' THR . 15.7 t 179.16 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 t -71.93 -36.13 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.407 HD21 ' ND2' ' A' ' 90' ' ' ASN . 0.6 OUTLIER -69.05 -47.74 64.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 91' ' ' SER . 2.5 m -53.89 -52.61 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.563 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.5 OUTLIER -43.04 -40.09 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -67.45 -58.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.7 OUTLIER -47.96 -61.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 95' ' ' THR . 0.7 OUTLIER -47.31 -46.06 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 9.0 t80 -62.8 -19.63 64.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.687 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.5 m-70 -90.15 18.49 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -153.29 121.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.606 HG21 ' CE2' ' A' ' 69' ' ' PHE . 96.7 t -98.8 152.19 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.42 100.78 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.08 95.16 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.614 HE21 ' N ' ' A' ' 151' ' ' THR . 0.0 OUTLIER -53.63 145.02 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.564 ' CB ' ' NH2' ' A' ' 116' ' ' ARG . 1.3 m -166.6 144.53 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -74.62 166.01 48.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -75.0 51.39 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.52 -45.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 113' ' ' VAL . 44.6 m-20 -97.14 -33.05 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' ASN . 0.4 OUTLIER -38.16 -32.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.441 ' N ' ' C ' ' A' ' 111' ' ' ASN . 62.8 t -55.59 137.19 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 170.73 18.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 111.49 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.564 ' NH2' ' CB ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -105.39 171.86 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -104.48 93.62 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.534 ' CG2' ' HB ' ' A' ' 124' ' ' VAL . 4.9 p -58.17 161.01 4.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 102' ' ' VAL . 10.0 tt -58.84 -53.58 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.481 ' CA ' ' HB ' ' A' ' 99' ' ' THR . 25.7 tp60 -42.92 -22.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 112.43 -23.0 16.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.545 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -69.44 -171.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 15.6 m -119.48 148.39 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.534 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 6.5 p -122.53 107.66 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 57.8 m -74.88 85.49 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.479 ' C ' ' CG2' ' A' ' 127' ' ' THR . 9.4 t -76.05 155.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -153.22 -175.52 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 133' ' ' LEU . 8.2 mp . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -137.07 155.77 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 138' ' ' ALA . 1.6 t -148.25 115.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.35 43.17 19.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 21.2 t30 87.54 -26.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 157' ' ' SER . . . -64.44 169.66 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.418 ' N ' ' OD2' ' A' ' 156' ' ' ASP . 0.2 OUTLIER -116.41 122.06 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.08 98.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.416 ' O ' ' HD2' ' A' ' 6' ' ' PRO . 3.4 t -71.8 -56.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 t -147.29 100.3 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.0 164.14 12.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.49 56.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.492 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.5 t -94.06 55.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 52.1 m -45.95 125.03 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 5.6 p -90.39 -105.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.69 -64.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -139.1 32.64 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.556 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -159.47 131.65 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.618 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 17.2 m -68.9 174.37 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.492 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.3 t -140.21 125.37 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.618 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 93.9 m-85 -137.04 88.86 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.522 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -67.96 109.76 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.642 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 1.1 pp -101.74 175.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 21.4 p-10 -115.75 52.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.499 ' HB2' ' CB ' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -175.0 126.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.522 ' O ' ' C ' ' A' ' 159' ' ' LEU . 37.4 t -71.8 69.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 158' ' ' VAL . 56.1 mt -30.04 144.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.653 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -133.53 146.81 62.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.563 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 109' ' ' PRO . 7.5 p -130.73 160.64 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.37 156.61 32.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -43.17 -37.9 3.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.6 OUTLIER -44.56 -28.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -81.57 -73.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.68 -52.09 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ALA . 63.3 t80 -38.5 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.64 -55.01 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.83 -40.92 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.7 -48.04 15.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -122.5 79.87 46.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.01 -23.35 13.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -135.73 -167.99 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.414 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 91.02 -178.31 41.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.64 21.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -79.11 -21.33 46.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 80.2 p -55.16 165.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.484 ' CG1' HG11 ' A' ' 145' ' ' VAL . 11.6 t -65.25 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 20.1 tt0 -81.87 -49.86 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.0 -63.25 1.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.497 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 10.2 ptp -53.03 -21.86 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.1 p -67.08 -8.56 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -99.1 14.73 28.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.49 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 29.0 m-20 -135.46 152.64 76.84 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 98.03 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.711 ' O ' ' N ' ' A' ' 33' ' ' ALA . 7.3 p 29.17 -118.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -9.43 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 35' ' ' SER . 60.1 t -34.75 -60.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.711 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.15 -67.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.1 -29.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.606 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.4 p -78.15 44.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 35' ' ' SER . 30.5 m-80 -162.56 -37.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 5.6 m-20 -54.5 130.33 62.72 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 167.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.93 6.32 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.5 mm-40 -121.35 -9.4 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 12.1 mt -112.85 -20.31 11.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -45.33 -53.09 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 43' ' ' LEU . 12.9 t -54.55 -37.36 65.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.565 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.68 -42.64 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.556 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.4 m -50.43 -56.66 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.17 -36.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.06 -70.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.565 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.25 -61.3 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.519 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -44.34 -69.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 152.58 -20.87 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.496 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 25.5 mt-30 -37.02 -33.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -79.29 -50.84 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -137.03 131.23 17.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 6.4 3.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.33 3.64 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 94' ' ' LEU . 2.7 t -125.1 127.53 72.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 2.4 p30 -151.82 79.7 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -90.86 -6.19 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.519 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.4 t -59.69 -29.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -51.78 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' LEU . 2.7 m -62.97 -58.63 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 60' ' ' THR . 0.9 OUTLIER -34.07 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.442 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 9.2 t-20 -82.28 51.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -108.72 -93.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -110.93 176.24 18.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 15.6 mt-30 -48.95 106.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 11.1 m-30 -114.17 -171.94 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.516 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 22.9 m -150.05 86.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.486 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 53.7 t -51.22 134.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.594 ' CE2' HG21 ' A' ' 103' ' ' VAL . 8.4 m-85 -125.31 68.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -93.62 127.83 44.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -140.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.737 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.0 113.09 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 40.6 p -53.39 174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -65.24 -37.35 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.37 -14.35 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -76.06 -47.8 23.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 45.6 m-85 -70.4 -50.14 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -43.06 -52.76 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.451 ' NZ ' ' HA ' ' A' ' 157' ' ' SER . 3.8 mtmp? -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -47.08 146.48 2.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.99 141.68 26.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.4 -43.52 2.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.0 p -49.05 -43.55 40.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.59 -47.6 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.23 -45.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -17.53 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.36 -43.03 14.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.406 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.8 mt -58.68 -17.99 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 10.5 mttt -90.88 24.82 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.0 t -170.0 32.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 91' ' ' SER . 97.5 m-20 -115.18 -87.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 m 85.73 -4.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.49 -41.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -24.71 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -43.13 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -54.56 -52.65 61.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.581 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -45.92 -35.36 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -70.31 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -47.83 -56.92 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.565 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 17.0 p -48.75 -49.68 37.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.684 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.0 t80 -62.54 -16.29 55.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.691 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.7 m-70 -91.01 20.37 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.448 HG11 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -158.11 122.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.594 HG21 ' CE2' ' A' ' 69' ' ' PHE . 8.7 t -100.82 154.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.28 102.97 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 130.52 81.18 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.47 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -32.85 137.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.5 m -150.87 153.27 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.9 p -97.36 167.66 11.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.446 ' CB ' HG13 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 50.47 2.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -140.3 -46.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -100.42 -30.69 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.408 ' C ' HG12 ' A' ' 126' ' ' VAL . 9.9 p -45.45 -27.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -58.47 147.0 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.95 -176.85 23.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.8 m -75.59 93.62 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' CB ' HG21 ' A' ' 124' ' ' VAL . 6.0 mmp_? -81.93 175.78 10.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -122.89 96.56 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 100' ' ' TYR . 1.8 p -58.45 157.67 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.638 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.08 -20.89 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.565 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 33.5 tp60 -68.7 -15.63 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.91 1.77 56.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.56 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -98.76 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 m -106.7 151.07 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -124.1 109.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.8 m -67.99 65.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 135' ' ' VAL . 3.1 t -60.05 148.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.1 m -156.42 175.24 14.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.69 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.7 mtpt -139.32 161.83 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.577 ' CG1' ' CD1' ' A' ' 159' ' ' LEU . 1.1 t -156.7 114.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.08 -51.96 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.542 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -175.96 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -64.3 165.46 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.427 ' OD2' ' CG ' ' A' ' 156' ' ' ASP . 7.0 m-20 -103.95 122.22 44.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.69 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 53.4 t -63.68 124.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.13 -54.55 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 36.9 t -152.69 109.11 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 159.52 13.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.36 20.07 46.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.484 HG11 ' CG1' ' A' ' 22' ' ' VAL . 2.0 t -89.28 58.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 46.7 m -45.0 127.81 6.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.502 HG23 ' CB ' ' A' ' 33' ' ' ALA . 3.5 p -92.43 -100.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.29 -62.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -135.28 38.22 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.488 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -170.27 145.88 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 146' ' ' SER . 22.9 m -80.39 178.38 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.459 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.4 t -143.45 127.2 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 151' ' ' THR . 82.1 m-85 -134.81 90.51 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.4 mtm -61.26 142.47 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.538 HD12 ' CE1' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -135.97 169.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.8 p-10 -111.24 39.46 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.451 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -165.47 144.94 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.558 ' O ' ' C ' ' A' ' 159' ' ' LEU . 54.6 t -80.32 71.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.622 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 12.2 mt -26.38 137.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.684 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -128.89 146.29 59.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.581 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 136.11 20.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.56 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.46 1.768 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 m -131.57 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.53 15.2 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 11' ' ' TYR . . . -54.72 -42.9 79.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -41.17 -57.59 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.52 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' ALA . 3.1 tt0 -43.81 -58.52 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CZ ' ' HE1' ' A' ' 154' ' ' MET . 70.5 t80 -38.29 -60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.85 -42.26 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' GLU . . . -59.85 -45.13 93.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.46 -45.28 84.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 21' ' ' SER . 55.5 m-80 -125.02 74.39 66.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 18' ' ' GLY . 16.7 p -114.27 -19.85 11.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -46.51 175.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.28 11.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -79.67 1.41 26.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 1.3 m -79.23 177.58 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 145' ' ' VAL . 1.3 m -71.57 -37.87 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.16 -35.95 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.96 -29.03 71.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.425 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 21.6 ptp -94.89 -10.19 31.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -77.17 -10.26 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.49 -21.21 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.498 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . 2.2 m-20 -104.36 165.27 13.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.06 135.62 19.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.627 ' C ' ' O ' ' A' ' 29' ' ' PRO . 1.5 m -19.25 -52.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -43.23 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 28' ' ' ASP . 6.0 t -46.44 -40.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -47.1 -23.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.512 ' CB ' ' CG2' ' A' ' 44' ' ' THR . . . -105.56 -24.11 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.1 t -74.84 1.62 12.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.4 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 22.9 m-80 -113.31 -39.9 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CG2' ' A' ' 41' ' ' THR . 4.6 m-20 -52.92 130.01 48.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 4.72 4.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' C ' HD21 ' A' ' 40' ' ' LEU . 1.4 mm-40 -121.64 -4.52 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 16.6 mt -114.24 -33.19 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 5.9 p -32.83 -39.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.4 m -66.84 -56.23 11.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.26 -53.38 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.512 ' CG2' ' CB ' ' A' ' 34' ' ' ALA . 7.4 p -46.41 -64.24 0.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -34.78 -40.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.16 -72.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -47.96 -60.23 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.476 ' HA ' HG11 ' A' ' 58' ' ' VAL . 3.0 p -37.66 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.577 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.03 -19.46 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.11 -55.24 18.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.444 ' CD2' ' HE2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -75.4 -46.64 31.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.577 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -110.56 95.44 22.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.99 15.75 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.6 mt-30 -128.75 5.36 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.577 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -122.41 178.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 8.2 p30 175.91 123.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 60' ' ' THR . 81.6 mt -136.7 -43.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.554 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.3 p -26.41 -70.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 58' ' ' VAL . 9.6 m-20 -36.14 -51.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.617 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.4 m -67.81 -62.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' CD2' HG22 ' A' ' 102' ' ' VAL . 85.0 mt -35.22 -36.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' THR . 1.5 m-20 -86.2 51.61 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 2.1 m -175.88 107.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.77 126.92 5.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 9.9 mt-30 -47.0 107.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 8.4 m-30 -114.97 179.47 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.497 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 4.0 m -144.97 87.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.446 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 18.3 t -53.72 127.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CE2' HG23 ' A' ' 103' ' ' VAL . 11.0 m-85 -116.36 66.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . . . -94.12 129.28 37.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -140.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.687 ' HD3' ' ND1' ' A' ' 101' ' ' HIS . 18.4 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 72.9 p -58.21 168.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -24.19 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.95 51.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -73.75 -47.23 40.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.681 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 34.9 m-85 -65.68 -38.74 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -43.62 67.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -44.25 -66.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.69 150.22 0.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.18 41.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -56.57 -56.38 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ALA . 8.4 m -38.09 -47.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.63 66.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.72 -44.22 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.63 43.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.34 -35.97 12.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . 4.5 mt -68.28 -15.33 63.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HE2' ' CD2' ' A' ' 51' ' ' LEU . 55.1 mttt -91.77 31.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 90' ' ' ASN . 5.0 t -171.97 -38.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 91' ' ' SER . 91.8 m-20 -38.36 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 2.2 t 88.63 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -105.62 29.7 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.94 -43.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.23 -42.9 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.9 OUTLIER -48.73 -46.81 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.576 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.0 OUTLIER -51.55 -41.88 61.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.441 HG13 ' HD3' ' A' ' 161' ' ' PRO . 2.0 mt -63.07 -61.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.455 ' O ' HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -46.74 -53.12 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.4 p -52.79 -50.15 64.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 160' ' ' MET . 7.6 t80 -63.85 -10.57 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.687 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 20.5 m-70 -95.83 22.29 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -157.22 132.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.581 HG23 ' CE2' ' A' ' 69' ' ' PHE . 5.7 t -113.14 166.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.44 111.86 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 155.82 -53.38 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.497 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.31 101.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.529 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 38.3 m -131.11 139.67 49.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.585 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.7 p -67.17 164.97 31.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 46.49 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -152.33 19.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.6 m-20 -153.05 -50.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.21 -40.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.55 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.2 t -38.98 154.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.94 -122.44 7.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 m -136.17 115.58 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.451 ' NH2' ' OG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -109.45 166.59 10.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -112.5 99.65 8.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.513 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 4.1 p -58.73 146.43 36.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.585 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -49.51 -26.23 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.577 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -60.87 -50.46 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.12 -19.29 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.595 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -83.18 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 67.6 m -97.1 157.21 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.509 HG11 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -126.59 106.82 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -74.98 88.94 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.504 ' C ' ' CG2' ' A' ' 127' ' ' THR . 31.9 t -83.95 148.05 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 1.2 p -153.83 -174.72 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 133' ' ' LEU . 8.6 mp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -132.45 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.553 ' CG1' HD22 ' A' ' 159' ' ' LEU . 1.2 t -151.33 112.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.92 -54.76 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 135' ' ' VAL . 2.7 t30 -168.01 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 157' ' ' SER . . . -61.63 170.24 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.53 123.51 47.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.55 134.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.9 -47.22 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.9 t -154.96 99.46 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.09 173.52 16.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.14 16.1 80.94 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.501 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.8 t -83.21 52.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 69.1 m -39.59 132.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.523 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.6 p -103.18 -109.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.68 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.428 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -121.59 37.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.499 ' HB1' ' CG1' ' A' ' 30' ' ' VAL . . . -170.94 164.47 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.535 HG23 ' CE2' ' A' ' 153' ' ' TYR . 19.8 m -100.8 -178.01 3.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.501 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -145.57 128.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.535 ' CE2' HG23 ' A' ' 151' ' ' THR . 73.7 m-85 -137.88 90.13 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.516 ' HE1' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -62.36 138.78 58.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' A' ' 101' ' ' HIS . 8.5 pt -130.42 165.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' A' ' 157' ' ' SER . 19.7 p-10 -110.24 45.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.455 ' HB2' ' CB ' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -172.54 133.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 159' ' ' LEU . 71.1 t -75.33 80.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.606 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -38.37 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 7.3 mtp -148.27 146.7 23.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.576 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 127.24 10.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.759 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.595 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 22' ' ' VAL . 3.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 133' ' ' LEU . 7.8 p -124.13 173.95 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.38 151.07 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -75.04 -66.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -39.52 -45.16 2.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.51 -40.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -56.9 -50.18 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.3 t80 -35.74 -65.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.3 -58.0 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' ALA . . . -39.5 -43.69 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -51.25 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -122.35 81.53 45.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.94 -24.74 12.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -133.53 -159.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 81.31 175.22 49.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -81.55 -44.26 17.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -49.92 178.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG2' HG11 ' A' ' 145' ' ' VAL . 65.1 t -62.89 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.22 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -62.04 -63.24 4.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 16.9 ptp -59.99 -11.98 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 1.4 t -66.08 -49.91 65.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.27 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.88 155.29 41.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.06 148.93 35.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.616 ' CG2' ' HB3' ' A' ' 150' ' ' ALA . 3.5 p -26.96 -50.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -48.34 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -45.13 -44.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 25' ' ' MET . . . -45.99 -38.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -91.0 -26.74 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -4.09 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -100.32 -46.49 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.532 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -46.53 132.31 8.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -174.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.97 2.07 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 72' ' ' THR . 2.2 mm-40 -122.08 -2.77 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 16.5 mt -114.2 -32.8 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -35.04 -42.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.512 HG22 ' CD1' ' A' ' 76' ' ' PHE . 6.1 t -60.92 -53.45 57.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 42' ' ' THR . 0.0 OUTLIER -60.19 -41.1 92.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.498 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 16.9 m -49.8 -62.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.13 -38.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.48 ' CB ' HD23 ' A' ' 98' ' ' LEU . . . -66.42 -69.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.498 ' HG ' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -54.85 -59.37 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.521 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 5.9 p -38.64 -61.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 139.03 -23.22 2.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 mt-30 -38.61 -45.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.534 ' CD1' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -61.17 -61.07 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 0.5 OUTLIER -123.27 130.59 24.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 4.91 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -108.66 1.06 20.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.91 146.56 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -168.41 92.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 60' ' ' THR . 9.3 mp -100.72 -37.27 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 6.2 p -31.95 -58.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.75 -52.7 22.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.3 m -61.84 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.535 ' C ' ' O ' ' A' ' 60' ' ' THR . 15.4 mt -30.0 -44.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' THR . 8.0 t-20 -81.8 53.36 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' THR . 67.7 m -166.66 109.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 85.42 131.46 2.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -44.14 108.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.802 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.6 m-30 -114.84 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.531 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 80.1 m -153.87 89.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.592 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 5.3 t -53.65 144.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CE2' HG22 ' A' ' 103' ' ' VAL . 6.8 m-85 -132.26 63.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' CB ' HG13 ' A' ' 68' ' ' VAL . . . -97.59 131.18 27.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -135.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.728 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.98 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 155' ' ' ILE . 36.6 p -60.43 177.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 10.4 m120 -61.66 -42.01 98.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.07 -18.34 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -75.98 -46.98 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 42.5 m-85 -75.13 -45.82 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -43.99 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 3.6 mtmp? -44.87 -61.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.9 mt -45.87 145.9 2.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.78 -50.19 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.94 -51.45 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.963 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -47.8 81.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.02 -51.85 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -21.18 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 7.7 tp10 -80.88 -41.76 22.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.6 mt -61.39 -24.86 66.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 24.8 mttt -84.02 9.45 12.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 p -139.71 10.09 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 19.0 m-20 -109.96 -154.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.446 ' O ' ' OG1' ' A' ' 95' ' ' THR . 12.8 p 173.64 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -37.58 7.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.042 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -38.62 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.54 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.73 -42.67 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.464 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.5 m -54.04 -53.09 57.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.462 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -44.62 -40.61 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.484 HG22 ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -64.26 -64.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.54 ' CD2' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.79 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.641 ' O ' ' CD2' ' A' ' 119' ' ' LEU . 6.8 p -48.85 -52.4 24.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.734 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -56.73 -17.7 9.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.693 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.4 m-70 -93.66 26.27 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -148.14 159.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.565 HG22 ' CE2' ' A' ' 69' ' ' PHE . 3.0 t -143.34 134.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.47 105.29 17.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.47 91.27 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -44.85 126.62 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.467 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 55.9 m -136.86 143.51 43.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 p -81.44 161.7 61.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 51.58 2.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -140.71 -45.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 113' ' ' VAL . 24.8 m-20 -96.33 -30.52 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.94 -24.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 127' ' ' THR . 11.0 p -67.0 145.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.09 -110.45 2.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.6 m -136.65 104.6 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 116' ' ' ARG . 3.2 mmp_? -100.34 165.54 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -109.13 114.36 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.499 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 23.1 p -75.31 151.86 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.641 ' CD2' ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -62.62 -11.29 16.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 120' ' ' GLN . 8.8 tp60 -73.91 -34.26 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.11 -17.01 8.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 118' ' ' THR . . . -90.44 173.06 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 m -104.33 142.75 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.402 ' O ' HG22 ' A' ' 126' ' ' VAL . 2.2 p -116.44 109.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -73.08 99.15 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.496 ' C ' ' CG2' ' A' ' 127' ' ' THR . 17.1 t -91.44 158.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -153.8 177.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 4' ' ' VAL . 5.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -125.12 156.45 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.485 ' CG1' HD22 ' A' ' 159' ' ' LEU . 8.8 t -138.25 102.19 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.06 -49.99 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -167.6 -37.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.518 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -61.86 174.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.33 112.52 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 21.7 t -52.2 98.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.5 t -64.69 -57.83 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.437 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 13.1 t -144.31 107.38 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.527 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.93 160.98 12.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.03 16.62 55.71 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.503 HG11 ' CG2' ' A' ' 22' ' ' VAL . 1.8 t -87.62 64.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.56 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.1 m -57.28 123.78 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 10.8 p -81.8 -107.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.5 -40.78 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -156.28 37.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.616 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -168.63 134.22 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.674 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 53.4 m -78.58 170.05 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.422 ' N ' HG23 ' A' ' 151' ' ' THR . 1.1 t -140.12 129.28 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.674 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 86.4 m-85 -133.13 85.82 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -59.54 141.47 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.518 ' HB ' ' CB ' ' A' ' 138' ' ' ALA . 1.2 pp -136.68 169.97 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.471 ' O ' ' OG ' ' A' ' 157' ' ' SER . 8.6 p-10 -113.26 52.56 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 0.9 OUTLIER -173.13 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 159' ' ' LEU . 55.3 t -74.52 69.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.627 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -33.41 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.734 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.5 mtt -136.71 146.01 53.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.462 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 123.51 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.6 mm? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 m -118.3 136.13 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.45 152.59 9.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -45.58 -42.62 10.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -43.84 -28.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -69.7 -65.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -50.99 69.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 72.4 t80 -37.88 -66.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.57 -48.96 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.01 -43.73 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.36 -49.88 30.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -118.09 82.22 17.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.09 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 -162.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.451 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.08 -177.64 54.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -11.7 21.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -91.47 28.66 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' MET . 86.0 p -111.99 178.62 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG2' ' CG1' ' A' ' 145' ' ' VAL . 37.1 t -74.31 -43.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 18.7 pt20 -84.79 -49.69 8.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 23' ' ' GLN . . . -46.88 -38.61 10.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.523 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.5 ptp -79.58 -20.11 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -60.39 -32.79 71.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.01 -0.49 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.2 m-20 -111.22 144.68 30.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.02 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.694 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.1 p 31.52 -120.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.54 -71.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.9 t -34.04 -61.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.689 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -39.36 -67.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -50.1 -29.62 9.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.5 p -77.61 44.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -163.92 -38.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 3.7 m-20 -51.42 131.34 34.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 170.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.94 3.93 5.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.443 1.759 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -119.97 -7.5 9.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 36.3 mt -110.76 -31.07 7.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' LEU . 2.4 p -35.17 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.435 HG23 ' CD2' ' A' ' 76' ' ' PHE . 42.5 m -64.59 -55.63 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.97 -42.44 98.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 51.9 m -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.7 -35.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.484 ' CB ' HD21 ' A' ' 98' ' ' LEU . . . -67.51 -69.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -52.59 -59.8 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.497 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 3.0 p -37.93 -60.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 135.82 -19.63 3.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.04 -50.98 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 HD12 ' CG ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -59.97 -64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.553 HD22 ' N ' ' A' ' 89' ' ' THR . 0.5 OUTLIER -112.07 126.31 28.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 3.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -112.8 5.73 17.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 98' ' ' LEU . 38.7 t -117.89 147.42 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -170.7 94.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.5 mm? -94.76 -48.77 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -24.7 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.526 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 1.3 t70 -32.86 -50.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.595 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.8 m -63.8 -72.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.452 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.657 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 16.3 mt -38.11 -36.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -80.43 49.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -136.07 -82.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.574 ' O ' ' CD2' ' A' ' 66' ' ' TYR . . . -96.62 173.61 29.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -64.44 133.44 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.279 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 59.6 m-85 -139.18 177.63 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.491 ' CG2' ' HE2' ' A' ' 153' ' ' TYR . 19.5 m -142.95 87.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -52.4 129.41 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.523 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 13.8 m-85 -120.1 71.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -99.13 125.22 42.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -136.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.809 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 20.7 p -52.89 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -9.0 59.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.62 -14.68 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.506 ' CB ' ' N ' ' A' ' 157' ' ' SER . . . -74.22 -32.15 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.809 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.4 m-85 -85.62 -37.57 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 t -59.51 -26.83 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -53.71 -45.98 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 158' ' ' VAL . 14.5 mt -68.42 157.02 89.13 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.56 26.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.57 -35.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -52.49 57.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -45.8 90.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.477 HG21 ' CE ' ' A' ' 88' ' ' LYS . 36.1 mm -63.28 -46.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -12.67 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.88 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.421 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.2 mt -58.93 -19.69 44.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CG ' HD12 ' A' ' 51' ' ' LEU . 12.4 mttt -89.97 25.79 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.553 ' N ' HD22 ' A' ' 52' ' ' ASN . 9.1 t -174.16 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 91.6 m-20 -119.92 -75.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.416 ' CB ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER 73.64 6.02 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.73 -57.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.944 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -17.55 59.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.534 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -87.03 -51.33 6.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.453 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 3.0 m -49.75 -45.97 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.475 ' HB2' ' CG ' ' A' ' 161' ' ' PRO . 85.6 p -49.53 -44.64 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.52 HG23 ' CD2' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -63.86 -60.84 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.534 ' CD1' HD11 ' A' ' 94' ' ' LEU . 1.4 mt -42.21 -62.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.484 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 4.7 p -49.26 -45.25 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.658 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.2 t80 -66.98 -7.4 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.679 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.3 m-70 -103.1 22.44 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -158.08 115.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.471 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 89.4 t -99.58 124.73 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 66' ' ' TYR . . . -80.66 114.68 19.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 156.51 -49.0 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 81.4 119.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.501 ' CG2' ' NH2' ' A' ' 116' ' ' ARG . 20.2 m -148.96 143.11 25.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.556 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 60.2 p -74.13 163.04 71.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -74.98 48.1 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.61 19.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.565 ' O ' ' C ' ' A' ' 112' ' ' VAL . 23.6 m-20 -154.46 -51.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.565 ' C ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -27.22 -45.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 111' ' ' ASN . 6.8 p -40.07 145.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.07 -112.97 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.4 m -152.99 102.65 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.501 ' NH2' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -95.07 -168.55 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.67 104.73 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 43.0 p -59.76 167.71 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.475 ' CD2' HG12 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -67.1 -25.52 66.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.2 tp60 -60.65 -19.82 59.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.15 -6.91 54.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.491 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -92.32 156.51 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.0 m -86.98 140.46 29.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 p -113.77 105.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.8 m -70.23 114.81 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.483 ' C ' ' CG2' ' A' ' 127' ' ' THR . 3.5 t -109.37 146.43 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.483 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -154.12 168.67 25.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 140' ' ' VAL . 10.2 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -135.61 157.15 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.5 ' O ' ' CD1' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -151.09 100.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 80.84 -27.61 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER 156.64 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -71.99 169.35 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.4 115.5 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 154' ' ' MET . 39.9 t -53.49 111.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 155' ' ' ILE . 2.1 t -78.87 -45.72 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.29 104.1 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.574 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.76 166.0 12.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.1 16.44 67.26 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.498 ' CG1' ' CG2' ' A' ' 22' ' ' VAL . 1.6 t -84.17 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.6 m -40.96 124.08 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.538 ' CG2' ' CB ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -91.56 -96.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.137 . . . . 0.0 110.407 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -111.75 -78.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -116.73 24.54 11.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -156.15 155.91 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.57 HG22 ' CE2' ' A' ' 153' ' ' TYR . 25.5 m -93.64 178.74 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.483 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.3 t -143.74 126.95 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.574 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 87.6 m-85 -135.27 86.27 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.542 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -55.71 147.67 18.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 72' ' ' THR . 0.5 OUTLIER -141.49 -171.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.71 29.99 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 159' ' ' LEU . 19.4 m -160.86 139.27 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 159' ' ' LEU . 0.8 OUTLIER -76.12 23.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.629 ' O ' ' O ' ' A' ' 158' ' ' VAL . 1.2 mp 32.95 -159.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.658 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 170.4 139.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.475 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.04 130.17 12.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.66 135.25 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.228 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.94 151.49 7.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 176.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -75.02 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -42.48 -49.65 5.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.93 -36.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' PRO . . . -58.88 -75.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -56.23 -51.69 67.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' ALA . 73.7 t80 -35.83 -64.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.77 -44.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -49.4 -50.98 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.71 -50.77 48.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -116.65 84.67 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -120.53 151.36 39.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.525 ' N ' ' HG ' ' A' ' 21' ' ' SER . . . 129.6 -166.87 21.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' OH ' ' A' ' 11' ' ' TYR . . . -52.01 -23.01 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' A' ' 18' ' ' GLY . 4.4 m -61.14 171.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG1' HG12 ' A' ' 145' ' ' VAL . 15.5 m -92.67 50.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -167.16 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -30.03 7.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.503 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 14.2 ptp -67.87 -10.99 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.411 ' HA ' ' C ' ' A' ' 147' ' ' THR . 12.5 t -61.26 -54.28 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.63 -20.08 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -94.13 137.99 22.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.0 100.49 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.654 ' O ' ' C ' ' A' ' 31' ' ' ALA . 2.4 p 29.42 -106.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.654 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -16.46 -75.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 94.9 t -36.28 -61.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.96 -68.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.94 -29.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -81.5 46.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -154.64 -44.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 1.7 t-20 -55.36 134.73 69.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.11 3.83 5.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' C ' ' ND2' ' A' ' 73' ' ' ASN . 1.7 mm-40 -122.09 -5.12 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 54.6 mt -112.35 -28.91 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.65 -35.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -51.49 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.97 -54.04 40.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 2.0 m -45.48 -56.1 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.66 -40.23 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' OD1' ' A' ' 52' ' ' ASN . . . -64.53 -71.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -47.39 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.527 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -44.04 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.09 -20.59 1.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -47.0 -22.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -110.62 -44.48 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.623 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -111.78 95.93 30.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 12.3 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 52' ' ' ASN . 6.8 mt-30 -120.89 -3.4 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.623 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -123.44 176.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.8 p30 177.77 103.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.632 ' O ' ' C ' ' A' ' 58' ' ' VAL . 4.3 mm? -102.56 -45.75 4.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.632 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -20.17 -74.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -34.55 -58.79 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.4 m -57.82 -53.36 59.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 102' ' ' VAL . 10.0 mt -40.72 -44.79 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.95 49.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' THR . 28.9 m -110.92 -91.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.19 178.62 19.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.1 mt-30 -54.63 106.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -113.3 -177.95 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.524 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.94 89.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.083 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.01 132.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.6 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.3 m-85 -122.9 74.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -103.83 124.24 38.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -137.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.846 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.05 122.21 7.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 71' ' ' PRO . 8.8 p -53.58 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -85.61 -7.17 58.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.7 -13.64 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -73.96 -29.07 61.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 37.8 m-85 -91.46 -42.52 10.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -51.29 -23.17 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmp? -63.98 -31.33 72.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 mt -78.83 153.54 77.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 136.77 20.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.76 -49.13 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 t -41.03 -50.79 3.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -51.54 69.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 86' ' ' GLU . 35.7 mm -58.72 -53.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -48.83 -22.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.0 tp10 -88.68 -40.19 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.476 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.2 mt -65.6 -11.72 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 85' ' ' ASP . 3.2 mtmp? -94.45 32.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 86' ' ' GLU . 2.8 t -164.48 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 6.7 m-20 -60.39 172.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 p -158.6 24.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.22 -46.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -28.36 55.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.506 ' CD2' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -89.05 -55.25 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -43.74 -35.88 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -61.94 -41.13 97.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.508 HG13 ' CD ' ' A' ' 161' ' ' PRO . 3.5 mt -67.66 -50.4 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 94' ' ' LEU . 1.5 mt -49.6 -64.87 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.5 p -48.02 -50.11 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.722 ' CE2' ' O ' ' A' ' 160' ' ' MET . 24.0 t80 -57.76 -19.4 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.717 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 33.4 m-70 -91.27 22.25 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -159.59 124.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.6 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 14.8 t -108.23 148.03 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.17 95.68 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.05 105.5 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.44 113.93 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 5.7 m -122.54 151.01 41.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.622 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 54.1 p -88.71 161.28 42.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.98 47.98 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -156.19 21.77 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.544 ' O ' ' N ' ' A' ' 113' ' ' VAL . 47.9 m-20 -155.69 -50.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.07 -39.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.2 t -37.9 141.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 113' ' ' VAL . . . 104.06 -167.31 15.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 91.4 m -76.24 111.57 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.568 ' NE ' ' CG1' ' A' ' 103' ' ' VAL . 5.8 tpm_? -115.78 121.41 42.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.52 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 4.5 tt0 -79.94 113.71 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.519 ' CG2' HG11 ' A' ' 124' ' ' VAL . 5.1 p -85.75 174.33 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 102' ' ' VAL . 10.6 mt -53.94 -57.65 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -38.18 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.92 -29.41 8.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -63.79 172.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.3 129.58 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.519 HG11 ' CG2' ' A' ' 118' ' ' THR . 9.1 p -103.98 119.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.2 m -79.03 109.92 13.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.507 ' C ' ' CG2' ' A' ' 127' ' ' THR . 42.3 t -102.26 148.14 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -155.16 178.66 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.483 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 10.3 mp . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -134.17 161.03 36.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.477 HG12 ' CG2' ' A' ' 124' ' ' VAL . 1.8 t -158.65 120.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.63 44.0 6.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.9 t30 88.16 -36.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -53.55 171.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.66 115.13 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 75.3 t -57.92 118.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -92.56 -40.97 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.8 t -163.24 103.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.5 164.0 12.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.79 21.29 56.26 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.519 HG12 ' CG1' ' A' ' 22' ' ' VAL . 2.2 t -90.98 52.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 71.6 m -44.76 133.28 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.55 HG21 ' CB ' ' A' ' 33' ' ' ALA . 1.7 p -97.9 -101.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . . . -101.93 -62.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -138.08 23.07 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.511 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -148.01 142.58 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.696 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 43.2 m -84.47 172.61 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.469 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.3 t -138.55 128.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.696 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 78.8 m-85 -136.41 87.09 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.514 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.9 mtm -56.71 142.1 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 157' ' ' SER . 2.0 pt -137.02 173.97 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.6 p-10 -110.62 36.14 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.7 OUTLIER -170.53 143.92 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.679 ' O ' ' N ' ' A' ' 160' ' ' MET . 4.2 m -76.09 37.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER 34.43 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.722 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 14.1 mtp 86.08 138.82 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.508 ' CD ' HG13 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 115.68 4.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.05 165.05 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.37 156.18 32.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.98 -36.79 5.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -42.28 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -75.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -40.98 -53.51 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 64.9 t80 -43.76 -62.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.33 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -62.2 -43.54 98.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 -48.87 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -117.04 83.7 15.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.1 p -147.39 114.73 6.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.27 -149.85 7.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.52 5.29 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -87.11 -105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ALA . 86.9 p 39.99 -162.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG2' HG11 ' A' ' 145' ' ' VAL . 51.2 t -93.13 -25.08 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -96.72 -30.67 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.38 -23.17 59.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 145' ' ' VAL . 15.8 ptp -96.7 -13.23 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -66.59 -74.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.996 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.5 mt-30 -38.21 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' SER . 67.7 m-20 -95.39 152.29 39.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.04 157.96 42.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.648 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 1.9 p -29.95 -43.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -56.23 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.458 ' HA ' ' CB ' ' A' ' 35' ' ' SER . 94.3 t -38.7 -39.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.545 ' HB2' ' CG2' ' A' ' 147' ' ' THR . . . -44.21 -46.7 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.24 -25.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.09 -0.98 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -107.14 -38.51 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 41' ' ' THR . 3.5 m-20 -59.2 131.02 87.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 1.93 7.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -115.96 -3.74 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 12.0 mt -119.9 -32.73 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 1.5 p -33.41 -37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -67.64 -56.91 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.62 -54.0 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.62 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 52.1 m -44.96 -62.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.2 -42.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.52 -72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.62 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -45.08 -64.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.508 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 1.3 p -37.25 -55.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.98 -22.21 3.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -44.09 -50.64 8.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.403 ' HG ' ' HG2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -74.22 -48.86 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.558 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.53 99.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 11.84 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.485 ' CB ' ' CB ' ' A' ' 91' ' ' SER . 4.0 mt-30 -114.05 1.33 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.558 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 5.2 p -147.12 145.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.486 ' CG ' ' O ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -145.31 124.51 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.577 ' O ' ' C ' ' A' ' 58' ' ' VAL . 44.1 mt -111.07 -30.44 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.577 ' C ' ' O ' ' A' ' 57' ' ' LEU . 32.1 t -24.61 -66.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -46.88 -63.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' LEU . 84.8 m -52.16 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.546 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -39.0 -41.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -86.74 52.82 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 m -168.79 110.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.76 143.04 6.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.1 OUTLIER -58.96 117.84 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 5.6 m-30 -116.02 -174.02 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.517 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 45.3 m -152.88 85.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.648 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 13.5 t -51.3 138.16 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.622 ' CE2' HG23 ' A' ' 103' ' ' VAL . 10.0 m-85 -127.07 64.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.48 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -95.47 130.23 32.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -135.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.726 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.01 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 30.3 p -57.73 172.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.06 -30.35 66.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.48 -20.98 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.28 -41.67 56.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.726 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 43.9 m-85 -78.82 -50.26 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -44.67 -25.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 76' ' ' PHE . 3.4 mtmp? -61.89 -58.15 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.08 152.23 14.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.86 36.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.86 53.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -47.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 88' ' ' LYS . 42.1 mm -55.79 -55.9 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.95 -18.75 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 89' ' ' THR . 0.4 OUTLIER -86.21 -44.43 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 87' ' ' LEU . 4.9 mt -63.23 -22.56 66.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -88.88 34.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' GLU . 2.0 t -171.67 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.41 ' ND2' HD21 ' A' ' 87' ' ' LEU . 91.3 m-20 -43.0 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER 68.33 13.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -43.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.52 -27.74 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -78.27 -48.79 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' A' ' 96' ' ' SER . 3.0 t -40.53 -45.73 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.492 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.9 -48.43 78.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 98' ' ' LEU . 1.2 mt -56.84 -57.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 102' ' ' VAL . 0.9 OUTLIER -50.35 -64.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.484 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.4 p -46.75 -43.33 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.65 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.2 t80 -68.53 -15.09 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.71 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 13.7 m-70 -95.19 19.15 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -156.09 115.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.622 HG23 ' CE2' ' A' ' 69' ' ' PHE . 56.9 t -92.95 146.03 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -93.02 103.64 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.94 99.84 0.89 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 3.4 mt-30 -57.73 156.43 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.713 ' HG1' ' NH2' ' A' ' 116' ' ' ARG . 54.7 m -152.58 -102.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.8 OUTLIER 162.54 162.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.07 3.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.47 -45.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.43 ' C ' ' N ' ' A' ' 113' ' ' VAL . 4.3 m-20 -99.8 -37.56 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -42.53 -28.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.43 ' N ' ' C ' ' A' ' 111' ' ' ASN . 17.9 t -50.09 156.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.87 -172.81 54.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 45.6 m -59.49 140.76 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.367 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.713 ' NH2' ' HG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -149.54 122.73 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.416 ' O ' HG11 ' A' ' 103' ' ' VAL . 30.1 tt0 -71.22 126.8 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.424 ' CG2' HG13 ' A' ' 124' ' ' VAL . 77.6 p -88.21 171.92 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -65.35 -26.27 67.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.3 tp60 -72.19 -6.58 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.14 -40.48 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -54.83 -173.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 p -125.13 148.31 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 116' ' ' ARG . 3.7 p -119.19 128.39 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.3 m -83.43 97.45 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.455 ' CG1' HG23 ' A' ' 135' ' ' VAL . 3.0 t -92.28 150.43 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -149.54 173.99 13.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.614 ' HB2' ' CG2' ' A' ' 140' ' ' VAL . 4.2 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 127' ' ' THR . 0.1 OUTLIER -135.04 159.07 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.552 ' O ' ' C ' ' A' ' 136' ' ' GLY . 2.1 t -161.1 131.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 22.99 77.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.7 m120 44.24 54.54 6.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' VAL . . . -149.09 164.17 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 8.5 m-20 -115.22 117.68 31.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 133' ' ' LEU . 74.0 t -61.78 109.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.409 ' CG2' HG23 ' A' ' 72' ' ' THR . 2.6 t -79.37 -53.99 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.0 t -151.54 105.78 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.54 165.35 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.53 23.02 57.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.49 HG11 ' CG2' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -94.39 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 34.2 m -49.68 135.23 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.545 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 17.1 p -93.64 -116.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -96.0 -32.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -167.3 42.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.562 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -171.22 132.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.691 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 52.8 m -73.6 168.37 19.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 1.3 t -137.86 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.691 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.4 m-85 -137.52 87.69 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.489 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -61.09 138.71 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 157' ' ' SER . 1.3 pp -136.37 165.68 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.467 ' O ' ' OG ' ' A' ' 157' ' ' SER . 22.7 p-10 -109.71 52.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.512 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 3.8 m -171.38 128.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 159' ' ' LEU . 69.0 t -73.91 78.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.71 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 2.5 mp -39.05 158.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.65 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.1 mtt -146.75 143.49 18.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.492 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 119.95 5.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.53 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -121.77 111.56 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.89 153.5 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -43.37 -48.95 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.41 -30.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -71.07 -69.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.47 -55.53 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' GLY . 57.2 t80 -43.33 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -44.82 -58.03 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.78 -28.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -92.11 -39.92 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.6 m-80 -125.4 74.19 68.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.59 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -125.74 -150.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.14 176.38 18.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -10.71 21.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.595 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -78.76 -34.83 45.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 p -40.91 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' HG11 ' A' ' 145' ' ' VAL . 11.6 t -57.41 -32.68 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -94.12 -28.28 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -63.9 -30.89 79.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.498 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 8.2 ptp -83.35 -17.05 43.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.4 OUTLIER -62.82 -31.75 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.19 -14.76 58.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -94.11 142.2 24.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.0 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.9 p 31.34 -120.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.7 -69.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 35' ' ' SER . 89.1 t -33.5 -61.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.62 -68.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . . . -50.68 -46.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.593 ' N ' ' HG1' ' A' ' 44' ' ' THR . 38.5 t -57.38 -16.39 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.532 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 11.5 m120 -129.38 17.98 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.1 m-20 -89.78 129.98 44.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 146.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.03 12.54 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.64 ' C ' HD22 ' A' ' 40' ' ' LEU . 2.6 mt-10 -120.24 -19.34 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.881 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.87 -10.61 17.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.549 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 80.9 p -36.26 -36.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.515 HG21 ' CG ' ' A' ' 76' ' ' PHE . 17.1 m -67.38 -55.28 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.505 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -55.28 -47.91 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.593 ' HG1' ' N ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -49.91 -59.22 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 44' ' ' THR . . . -39.27 -37.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.498 ' CB ' HD23 ' A' ' 98' ' ' LEU . . . -66.21 -69.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.535 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -37.69 -56.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.04 -20.5 4.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -42.46 -37.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -74.05 -58.86 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.54 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -123.07 132.24 24.29 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.76 21.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 54' ' ' GLN . 2.0 mp0 -98.01 -7.12 30.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' A' ' 52' ' ' ASN . 3.3 m -106.99 135.1 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -166.93 96.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.639 ' N ' ' CD2' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -103.69 -43.48 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.621 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -19.74 -78.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -32.07 -57.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.606 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -58.86 -50.04 75.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -52.09 -27.58 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 58' ' ' VAL . 4.4 m120 -90.86 47.6 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -165.83 109.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.13 143.9 14.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.6 mt-30 -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -111.2 -169.79 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.497 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 95.6 m -153.73 90.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 3.9 t -51.9 144.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' HG21 ' A' ' 103' ' ' VAL . 10.7 m-85 -135.74 65.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB1' ' CG1' ' A' ' 68' ' ' VAL . . . -102.34 128.17 28.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -136.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.8 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.02 112.55 3.59 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 35.5 p -62.61 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.451 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 3.3 p30 -76.62 -30.83 57.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.79 21.23 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.81 -38.46 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 46.0 m-85 -88.54 -27.58 21.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.31 -10.02 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -29.71 61.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt -88.22 157.13 51.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.9 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 18.0 p -50.82 -36.99 40.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -48.66 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' A' ' 87' ' ' LEU . 33.0 mm -60.94 -68.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ILE . 11.3 t70 -38.21 -31.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -72.32 -48.1 44.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.5 mt -49.16 -33.07 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.2 28.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.45 ' H ' ' C ' ' A' ' 87' ' ' LEU . 12.4 t -172.09 30.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 75.7 m-20 -119.38 -69.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p 70.56 8.42 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -44.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -28.39 21.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 2.4 tp -74.31 -53.9 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' A' ' 99' ' ' THR . 29.9 m -53.9 -39.59 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.573 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.6 -40.36 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 101' ' ' HIS . 2.1 mt -64.17 -62.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD23 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -40.88 -59.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.51 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -45.85 -52.34 11.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.591 ' CE2' ' O ' ' A' ' 160' ' ' MET . 2.0 t80 -57.92 -20.53 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.661 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 88.6 m-70 -89.88 24.28 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.495 ' CG2' ' C ' ' A' ' 101' ' ' HIS . 2.1 t -154.08 136.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.57 HG21 ' CE2' ' A' ' 69' ' ' PHE . 61.0 t -125.74 133.43 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.02 110.42 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.31 79.33 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.415 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -44.04 130.08 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.333 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.1 m -150.59 126.52 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.5 p -55.42 167.38 0.74 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.07 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.47 -44.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 6.3 m120 -99.07 -17.91 18.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.74 -9.98 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.471 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 11.4 p -75.07 154.69 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.407 ' N ' HG23 ' A' ' 113' ' ' VAL . . . 92.84 -163.36 26.95 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 m -78.21 106.47 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.475 ' CB ' HG21 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -104.05 -175.05 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.498 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 36.3 tt0 -135.57 133.99 38.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.52 ' CG2' HG23 ' A' ' 124' ' ' VAL . 16.8 p -105.08 152.36 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.429 HD12 ' CG2' ' A' ' 99' ' ' THR . 0.7 OUTLIER -47.5 -25.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.51 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -60.44 -51.26 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.79 -22.13 3.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 159.04 23.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 p -85.67 157.72 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -122.75 104.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.6 m -70.01 81.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 113' ' ' VAL . 21.1 t -79.35 150.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.421 ' N ' HG11 ' A' ' 126' ' ' VAL . 0.1 OUTLIER -155.11 169.87 23.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 6.3 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 165.5 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -160.17 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.92 -80.68 1.67 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -150.22 20.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 159' ' ' LEU . . . -125.04 173.39 8.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -116.8 125.53 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 97.0 t -59.72 117.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.508 HG23 ' CA ' ' A' ' 155' ' ' ILE . 2.5 t -83.19 -37.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.403 ' HB3' ' HE1' ' A' ' 154' ' ' MET . 43.0 t -170.75 105.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.69 164.73 12.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.74 66.33 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.483 HG11 ' CG1' ' A' ' 22' ' ' VAL . 1.1 t -86.59 54.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 49.6 m -40.41 117.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 21.1 p -84.03 -101.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -104.2 -76.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -124.2 42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.11 136.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.7 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 97.6 m -69.88 171.27 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 147' ' ' THR . 1.2 t -134.52 128.01 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 82.3 m-85 -137.0 88.31 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.542 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 12.2 mtm -65.19 152.81 42.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -144.98 -177.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.96 27.94 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.7 OUTLIER -159.24 145.0 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.9 OUTLIER -77.21 21.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.584 ' O ' ' CB ' ' A' ' 160' ' ' MET . 0.1 OUTLIER 46.41 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.61 ' N ' ' O ' ' A' ' 158' ' ' VAL . 1.5 mtm 88.42 139.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.573 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 160' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.465 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.2 mm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 109' ' ' PRO . 2.8 m -125.8 118.83 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.45 148.8 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -171.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -41.58 -40.42 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -39.43 -31.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.01 -69.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -46.36 -53.08 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.5 t80 -44.07 -63.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.16 -47.96 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.97 -39.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.12 -44.06 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -124.79 81.08 61.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.09 7.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -131.06 -171.21 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.94 -178.4 32.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.26 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -84.46 -29.01 26.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 34.9 p -39.44 156.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HB ' ' CG1' ' A' ' 145' ' ' VAL . 4.4 m -69.04 -9.26 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -113.04 -25.79 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.75 -42.2 32.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.559 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 16.0 ptp -59.79 -13.47 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -65.21 -38.67 91.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -69.71 -6.76 33.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 75.7 m-20 -103.84 142.33 24.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.535 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.96 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.708 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.3 p 35.34 -124.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.708 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -6.92 -70.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.58 -63.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.13 -67.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 40' ' ' LEU . . . -49.67 -47.77 49.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' O ' ' A' ' 32' ' ' VAL . 5.5 t -41.96 -32.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 7.4 m-80 -135.48 35.56 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.548 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -84.88 131.51 48.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 127.262 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 10.23 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.434 1.755 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.668 ' C ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -119.83 -16.53 8.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.888 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.84 -15.1 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -38.83 -34.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.437 HG21 ' CG ' ' A' ' 76' ' ' PHE . 36.9 m -70.1 -51.95 27.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.505 HD13 ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -55.48 -49.28 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.564 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -50.37 -60.3 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -37.52 -37.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.495 ' O ' ' CG2' ' A' ' 55' ' ' VAL . . . -68.04 -72.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.564 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -45.28 -61.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.527 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 3.9 t -44.33 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.0 -20.49 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 10.8 mt-30 -41.65 -25.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -90.58 -53.02 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.543 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -125.55 129.15 24.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 4.19 4.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -118.02 5.05 12.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' A' ' 52' ' ' ASN . 4.1 m -118.9 132.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.5 p30 -155.36 92.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 60' ' ' THR . 2.5 mm? -97.28 -38.59 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.527 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 7.6 p -40.21 -58.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' H ' ' CG1' ' A' ' 58' ' ' VAL . 2.5 m-20 -49.78 -32.72 14.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -82.55 -65.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 66' ' ' TYR . 3.4 mt -32.18 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' THR . 1.2 m-20 -81.53 51.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.9 m -124.64 -89.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.58 172.81 25.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.8 mt-30 -63.02 110.01 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 15.5 m-30 -115.36 -168.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.547 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 25.9 m -148.51 86.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.639 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 74.4 t -49.93 136.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.55 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 9.3 m-85 -129.34 67.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.521 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -100.91 126.39 35.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -138.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.685 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.559 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 40.8 p -53.93 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.427 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.02 -27.88 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.72 62.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB3' ' CA ' ' A' ' 157' ' ' SER . . . -84.52 -75.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -42.51 -29.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.6 t -59.43 -51.14 71.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 0.6 OUTLIER -43.96 -57.24 3.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.417 HD12 ' CG2' ' A' ' 158' ' ' VAL . 26.9 mt -51.7 145.73 15.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 156.46 43.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.88 64.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.5 -56.45 5.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -46.58 65.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.4 -45.75 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.92 -22.16 64.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.36 -44.07 18.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.3 mt -58.76 -18.95 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.514 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 7.3 mttt -92.73 27.7 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -173.4 33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 92.2 m-20 -117.89 -70.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 63.09 10.67 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.82 -43.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.4 -24.68 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.409 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 52.8 m -53.16 -39.57 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.448 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -58.44 -37.57 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.0 mt -67.78 -51.67 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.452 ' O ' HG11 ' A' ' 102' ' ' VAL . 1.4 mt -51.32 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 2.3 p -50.47 -43.25 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 160' ' ' MET . 42.9 t80 -69.98 -10.05 57.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 10.8 m-70 -99.45 16.67 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -154.93 116.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.55 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 89.5 t -92.71 151.71 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.58 33.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 112.28 90.0 1.88 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -41.43 141.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.505 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 24.2 m -159.18 129.28 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -66.91 167.14 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.464 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 49.2 2.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.72 -46.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -96.48 -25.48 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.3 p -54.69 -24.01 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.86 129.97 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.72 -162.52 12.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.7 m -75.84 112.11 11.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.472 ' O ' ' CG1' ' A' ' 124' ' ' VAL . 1.3 mmm180 -118.25 113.66 21.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.84 115.77 7.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 100' ' ' TYR . 60.4 p -76.05 147.04 38.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.49 -30.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 118' ' ' THR . 0.5 OUTLIER -58.41 -57.81 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.37 -25.67 1.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -74.3 -173.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.74 139.73 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 116' ' ' ARG . 6.2 p -115.02 111.41 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -76.55 100.49 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.454 ' C ' ' CG2' ' A' ' 127' ' ' THR . 5.3 t -91.94 149.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.454 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -151.53 -176.95 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.549 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 9.5 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.86 161.34 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.476 ' CG1' HD23 ' A' ' 159' ' ' LEU . 2.3 t -150.58 111.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 60.87 -78.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -149.65 21.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -118.36 175.53 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -116.97 117.03 28.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.549 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 79.0 t -57.15 104.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.489 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -71.52 -44.66 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.8 t -164.58 106.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.543 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.34 167.13 12.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.46 24.4 58.92 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.497 ' CG1' ' HB ' ' A' ' 22' ' ' VAL . 3.0 t -99.2 56.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 16.1 m -40.92 116.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.535 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.2 p -78.94 -95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 28' ' ' ASP . . . -115.18 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -121.23 42.75 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.535 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . 179.95 141.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.578 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 46.8 m -72.98 173.42 9.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -135.72 126.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.578 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 76.2 m-85 -136.97 82.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.559 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.6 mtm -60.65 144.29 52.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -133.15 175.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.421 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 5.7 p-10 -117.11 39.8 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.459 ' CA ' ' HB3' ' A' ' 75' ' ' ALA . 16.8 m -167.37 141.06 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 159' ' ' LEU . 94.0 t -77.64 74.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -35.87 153.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.699 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 14.3 mtt -145.14 148.83 39.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.448 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 122.54 7.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.456 ' CG2' HD12 ' A' ' 133' ' ' LEU . 14.1 p -135.54 166.32 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.8 157.32 31.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 176.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.98 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.45 -34.2 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.4 OUTLIER -43.6 -54.91 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -55.65 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -37.74 -47.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 81.4 t80 -57.16 -55.19 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.92 -42.97 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -35.22 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.91 -44.7 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -124.35 74.17 60.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -60.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' GLY . 8.8 p -116.42 -11.89 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.81 -177.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.03 8.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.505 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -90.93 37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -108.23 176.81 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.043 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG1' HG13 ' A' ' 145' ' ' VAL . 3.2 m -67.04 -32.94 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.86 -41.85 12.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.1 -17.77 11.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' HG22 ' A' ' 147' ' ' THR . 22.4 ptp -105.5 -9.44 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HA ' ' C ' ' A' ' 147' ' ' THR . 20.0 m -76.56 -26.39 55.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -86.37 -8.0 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.13 163.84 20.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 138.45 22.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 29' ' ' PRO . 1.5 m -21.42 -52.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -46.25 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' SER . 11.9 t -42.09 -39.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -42.36 -35.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.92 -33.61 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 8.7 t -54.02 -22.32 10.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 35.8 m-80 -78.63 -44.78 23.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 31.4 t-20 -61.63 132.24 93.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -170.612 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.01 5.54 3.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 2.6 mm-40 -124.3 -1.19 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 70' ' ' ALA . 27.9 mt -116.14 -29.28 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.8 p -38.51 -33.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.503 HG21 ' CG ' ' A' ' 76' ' ' PHE . 4.5 m -69.51 -53.78 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -62.45 -52.76 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.619 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 57.4 m -47.57 -55.56 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' CA ' ' HB2' ' A' ' 50' ' ' GLN . . . -43.56 -38.49 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.66 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.619 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -44.81 -61.7 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.542 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 56.9 p -43.61 -50.35 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 134.97 -23.59 3.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 45' ' ' ALA . 4.5 mm-40 -36.84 -54.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' HB3' ' ND2' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -65.68 -57.06 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -110.52 118.29 49.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 4.23 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -112.91 6.6 17.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 56' ' ' ASN . 37.9 t -124.93 158.4 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -174.42 93.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -107.64 13.41 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.542 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.1 t -69.75 -35.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.38 -47.94 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASN . 18.0 m -65.46 -64.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 4.1 mt -39.93 -29.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' THR . 7.5 t-20 -99.48 57.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.44 107.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.14 139.65 10.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.0 mt-30 -57.57 107.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 10.0 m-30 -112.76 -176.45 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.516 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 24.1 m -150.86 84.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.1 t -50.57 134.15 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.652 ' CE2' HG22 ' A' ' 103' ' ' VAL . 7.4 m-85 -123.0 65.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -94.77 129.95 34.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -137.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.69 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.95 110.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 27.6 p -54.45 177.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -13.86 62.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.09 -22.2 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.07 -43.49 52.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.69 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.6 m-85 -73.1 -30.25 63.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.2 t -66.04 -30.91 71.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -57.77 -59.25 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.3 mt -54.33 152.11 12.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.7 42.99 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -53.76 -54.1 42.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.0 m -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -51.59 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.48 -46.61 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -16.94 44.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -87.7 -39.43 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.6 mt -66.93 -14.11 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -91.39 30.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 t -167.48 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' HD21 ' A' ' 87' ' ' LEU . 89.4 m-20 -40.18 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t 66.69 9.82 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -136.02 -44.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.05 -24.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.45 -39.42 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.4 m -53.1 -45.59 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.585 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.8 OUTLIER -52.51 -37.0 56.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 98' ' ' LEU . 2.3 mt -68.71 -63.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -43.43 -54.86 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 95' ' ' THR . 2.9 p -50.72 -50.18 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.513 ' CE1' HG13 ' A' ' 124' ' ' VAL . 3.0 t80 -62.61 -12.14 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.664 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 33.9 m-70 -96.69 24.2 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -159.23 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.652 HG22 ' CE2' ' A' ' 69' ' ' PHE . 25.4 t -107.47 138.31 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.38 107.15 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 163.35 -41.9 0.33 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.516 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.3 OUTLIER 75.69 121.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 21.9 m -159.71 128.33 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 1.7 p -61.51 169.67 2.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -75.03 46.1 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.779 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.34 -43.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 3.8 m120 -102.15 -19.8 14.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.2 p -53.04 -21.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.91 142.64 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.04 -170.8 17.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.7 m -70.15 98.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.408 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.441 ' HB3' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -92.49 170.52 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.408 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 37.2 tt0 -125.22 120.64 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.539 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 2.5 p -87.09 148.47 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.616 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -54.59 -24.21 20.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.556 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 14.4 tm0? -63.99 -42.62 97.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 136.1 -39.42 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.598 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -64.53 170.82 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -100.17 155.54 17.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.513 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -122.5 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -76.09 91.25 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.447 ' C ' ' CG2' ' A' ' 127' ' ' THR . 12.0 t -90.7 147.04 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.447 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -152.83 166.2 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.456 HD12 ' CG2' ' A' ' 4' ' ' VAL . 8.0 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.73 154.42 47.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.461 ' CG1' HD22 ' A' ' 159' ' ' LEU . 1.1 t -144.58 120.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.95 -82.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.3 OUTLIER -150.8 24.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 157' ' ' SER . . . -121.78 171.73 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.71 119.08 36.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 94.6 t -60.66 105.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.455 ' O ' ' HD2' ' A' ' 6' ' ' PRO . 2.8 t -75.47 -57.07 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.6 t -146.67 105.81 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.551 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.88 169.49 12.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.81 75.49 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.503 HG13 ' CG1' ' A' ' 22' ' ' VAL . 2.2 t -85.17 64.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -50.86 124.29 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.2 p -93.53 -106.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -103.9 -73.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.461 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -122.73 40.73 3.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.533 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -176.33 159.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.565 HG22 ' CE2' ' A' ' 153' ' ' TYR . 24.7 m -96.74 -179.4 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.02 129.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.565 ' CE2' HG22 ' A' ' 151' ' ' THR . 80.8 m-85 -137.55 87.05 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.436 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 3.1 mtm -60.78 138.39 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.473 HD13 ' CA ' ' A' ' 71' ' ' PRO . 1.1 pp -134.47 169.68 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.492 ' O ' ' OG ' ' A' ' 157' ' ' SER . 30.2 p-10 -113.92 52.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.498 ' HB2' ' CB ' ' A' ' 138' ' ' ALA . 1.8 m -172.56 129.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 159' ' ' LEU . 70.9 t -75.1 77.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.604 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.2 mp -38.06 151.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.508 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 10.8 mtt -143.88 146.5 34.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.585 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.95 122.54 7.29 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.598 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.86 168.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.26 151.79 11.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -175.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -64.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -42.38 -39.04 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.23 -34.14 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -72.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -53.09 -55.92 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.8 t80 -36.87 -64.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.82 -50.51 14.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.32 -39.95 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.59 -45.84 28.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -124.21 76.68 60.49 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.05 -30.77 6.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -129.68 178.02 6.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 -178.76 31.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -12.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -86.61 2.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.0 p -81.98 165.59 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.532 ' CG1' HG11 ' A' ' 145' ' ' VAL . 24.9 m -69.33 -29.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' SER . 8.4 tt0 -87.42 -57.51 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.93 -62.6 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.492 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.8 ptp -49.04 -28.19 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.4 t -60.15 -15.86 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -92.63 12.5 22.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 68.1 m-20 -129.86 151.63 78.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.709 ' O ' ' C ' ' A' ' 31' ' ' ALA . 11.0 p 28.16 -118.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.709 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -7.45 -71.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 35' ' ' SER . 57.5 t -36.47 -61.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.17 -67.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.5 t -77.85 47.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 60.4 m-80 -160.71 -43.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 3.2 t-20 -44.98 126.27 5.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 164.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.14 -4.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 25.6 mt -113.07 -25.76 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -47.87 -41.34 23.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.615 HG23 ' CD2' ' A' ' 76' ' ' PHE . 2.5 t -61.11 -29.3 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -85.44 -43.37 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -48.77 -59.25 3.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -37.82 -36.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.01 -69.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.542 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -50.57 -61.74 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 4.1 p -41.45 -65.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 149.04 -21.86 1.25 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 28.2 mt-30 -36.63 -40.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -70.53 -50.31 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -136.34 130.63 18.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 6.76 3.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.82 4.91 20.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.9 t -125.51 142.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' SER . 5.4 p30 -165.79 107.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' ASP . 8.0 mp -110.68 -27.25 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.501 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 41.4 t -37.16 -31.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 57' ' ' LEU . 1.5 t70 -75.86 -54.65 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.4 m -60.98 -54.4 45.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' HA ' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -49.97 -35.05 22.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -90.08 54.43 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 109.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.45 137.58 5.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.7 mt-30 -53.92 109.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.0 m-30 -113.24 -170.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.54 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 71.5 m -154.84 88.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.451 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 6.4 t -51.64 145.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 9.1 m-85 -135.95 69.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -97.47 127.55 37.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -141.446 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.846 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -75.02 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 155' ' ' ILE . 14.7 p -53.02 -179.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -70.21 -29.65 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.27 14.76 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.76 -30.62 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.7 m-85 -89.38 -37.95 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -60.06 -13.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.31 -25.03 65.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.532 ' CD1' HG23 ' A' ' 158' ' ' VAL . 24.7 mt -92.99 156.63 40.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.85 31.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.8 p -54.37 -56.16 21.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -47.26 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 87' ' ' LEU . 34.9 mm -60.48 -69.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.444 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -37.96 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.6 tp10 -71.63 -48.77 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.2 mt -48.15 -33.93 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.518 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -81.03 39.44 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.564 HG22 ' N ' ' A' ' 90' ' ' ASN . 5.0 t -167.48 -31.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.564 ' N ' HG22 ' A' ' 89' ' ' THR . 57.2 m-20 -63.05 -71.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.2 p 86.04 -39.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -93.62 -55.11 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.434 HD21 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -60.96 -30.64 70.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -77.31 -47.12 20.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.471 ' O ' ' OG1' ' A' ' 99' ' ' THR . 2.8 m -54.3 -44.04 71.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.4 OUTLIER -51.42 -41.56 60.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.425 HG13 ' HD3' ' A' ' 161' ' ' PRO . 1.9 mt -65.12 -56.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.74 -61.23 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 95' ' ' THR . 0.9 OUTLIER -44.35 -49.4 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.476 ' OH ' ' O ' ' A' ' 123' ' ' SER . 1.0 OUTLIER -57.3 -28.3 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.731 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.3 m-70 -83.64 22.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.505 ' CG2' ' C ' ' A' ' 101' ' ' HIS . 1.9 t -154.56 141.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.54 ' CG2' ' HA ' ' A' ' 118' ' ' THR . 4.0 t -123.81 150.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.07 109.85 22.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 119.94 85.95 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -35.3 132.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.46 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 54.8 m -141.39 133.85 28.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -71.96 164.02 62.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.04 1.62 7.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.06 -15.16 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 113' ' ' VAL . 28.9 m120 -118.9 -38.74 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 109' ' ' PRO . 4.5 p -41.84 -28.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 111' ' ' ASN . 73.7 t -56.45 136.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.07 -176.81 20.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.0 m -74.82 122.1 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -122.84 169.02 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -111.83 116.89 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.54 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 19.3 p -84.32 175.26 9.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.0 -46.73 89.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.466 ' N ' ' HB ' ' A' ' 99' ' ' THR . 21.7 tp60 -58.38 -17.21 18.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . 105.98 -53.18 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 121' ' ' GLY . . . -38.61 149.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.476 ' O ' ' OH ' ' A' ' 100' ' ' TYR . 19.5 p -82.77 158.99 22.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.97 105.49 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.7 m -71.45 80.59 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.502 ' C ' ' CG2' ' A' ' 127' ' ' THR . 21.0 t -80.72 144.78 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -155.47 179.5 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 140' ' ' VAL . 10.9 mp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 5.3 mtpt -137.04 160.81 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.441 ' CG2' HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -157.99 122.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.05 40.23 12.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 19.6 t30 87.95 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -59.95 176.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 3.0 m-20 -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 133' ' ' LEU . 79.0 t -59.17 111.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.07 -52.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 24.2 t -154.53 105.58 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.46 172.19 14.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 15.96 79.96 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.532 HG11 ' CG1' ' A' ' 22' ' ' VAL . 2.4 t -84.98 57.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.1 m -48.29 115.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.1 p -79.53 -97.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -112.12 -71.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -126.12 43.63 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -178.04 137.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.657 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 55.3 m -75.98 174.41 10.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.451 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 2.4 t -141.23 129.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.657 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 84.8 m-85 -136.41 95.75 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.6 mtp -67.13 143.14 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -132.63 -175.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.417 ' O ' ' OG ' ' A' ' 157' ' ' SER . 2.0 p-10 -120.1 37.52 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -172.16 132.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.606 ' O ' ' C ' ' A' ' 159' ' ' LEU . 4.1 m -73.72 67.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.606 ' C ' ' O ' ' A' ' 158' ' ' VAL . 57.6 mt -21.29 131.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.448 ' O ' ' HE2' ' A' ' 100' ' ' TYR . 8.2 mtt -122.77 143.18 39.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 125.26 9.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 4.3 p -138.36 152.82 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.14 152.96 27.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -165.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.763 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -43.13 -48.55 6.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -40.88 -30.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -69.03 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -60.37 -53.71 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 42.6 t80 -35.87 -64.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.44 -53.51 6.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.0 -33.25 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -83.76 -41.19 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.36 77.4 60.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -139.22 167.49 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.7 -160.42 13.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.2 Cg_endo -75.01 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -71.22 60.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' PRO . 81.5 p -142.54 173.56 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 145' ' ' VAL . 56.4 t -65.45 -53.34 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -74.48 -32.89 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.459 ' CG ' HG23 ' A' ' 147' ' ' THR . 16.9 ptp -77.64 -7.83 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -79.69 -28.51 40.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.944 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -78.46 -2.51 38.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.3 167.77 19.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 158.55 42.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.607 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 4.1 p -38.09 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -62.03 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 31' ' ' ALA . 29.0 t -32.27 -43.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -40.2 -68.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.75 88.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -46.45 -27.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -67.58 -44.8 77.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.475 ' O ' ' CG2' ' A' ' 41' ' ' THR . 16.9 t-20 -71.59 137.83 83.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -155.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 1.79 7.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.1 mm-40 -122.57 -3.2 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 12.6 mt -118.5 -24.37 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -40.6 -35.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.604 HG23 ' CE2' ' A' ' 76' ' ' PHE . 7.4 t -69.75 -48.9 57.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -64.45 -55.49 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.589 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 2.4 m -47.58 -52.08 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -46.04 -36.82 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.22 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.589 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.47 -62.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.517 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 65.1 p -45.02 -54.33 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 135.68 -20.72 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.485 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -37.7 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.41 -52.16 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -128.62 125.5 23.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 3.25 5.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.38 -0.76 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -131.6 127.05 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 48' ' ' SER . 9.3 p30 -143.32 118.79 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -126.94 10.35 6.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.517 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.2 t -53.29 -46.28 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.33 -45.83 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.7 m -55.17 -16.72 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.51 -48.01 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.554 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 23.3 p-10 -79.2 46.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -88.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.63 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -124.64 -172.37 13.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -46.21 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 4.3 m-30 -114.54 -178.65 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.622 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 17.4 m -155.69 88.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.607 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 3.4 t -52.0 141.76 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 103' ' ' VAL . 11.4 m-85 -131.23 70.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -104.14 131.15 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -136.066 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.778 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 125.99 9.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.7 p -69.04 174.11 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -64.73 -13.75 55.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.26 -19.6 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' CA ' ' A' ' 157' ' ' SER . . . -75.94 -36.47 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.778 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 34.6 m-85 -78.32 -21.95 48.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -20.26 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.79 -60.69 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 mt -54.32 152.76 10.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.1 144.48 29.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.32 -52.06 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -50.04 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -48.97 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.08 -57.01 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.98 -24.05 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' THR . 1.0 OUTLIER -80.57 -43.58 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.482 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -56.06 -17.83 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 9.5 mttt -91.63 11.32 24.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.4 t -145.23 12.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.482 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 1.8 m-20 -118.57 165.52 13.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -153.7 22.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' OG ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -142.77 -48.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.07 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -27.69 54.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.65 -49.21 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.434 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.1 m -49.87 -51.95 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 4.3 m -45.23 -41.94 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 1.2 mt -65.24 -57.0 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -49.04 -58.11 5.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.2 p -51.99 -45.93 64.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -64.73 -12.76 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.671 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 52.2 m-70 -95.2 22.75 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -159.26 128.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 69' ' ' PHE . 2.9 t -103.91 161.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.87 99.74 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 161.99 -51.55 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.622 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.57 129.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 5.9 m -162.82 126.79 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -49.91 165.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 50.69 2.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.67 -45.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.491 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 2.4 m120 -98.07 -28.9 13.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.19 -22.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.472 HG23 ' CA ' ' A' ' 127' ' ' THR . 1.3 p -66.11 165.92 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.25 -100.0 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.7 m -144.79 125.13 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.523 ' NE ' ' H ' ' A' ' 117' ' ' GLN . 1.9 tpt180 -122.93 149.76 43.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.523 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 50.8 tt0 -94.04 116.21 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.522 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 52.4 p -76.37 153.38 35.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.61 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -60.19 -23.78 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.51 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 13.6 tp60 -61.44 -34.68 75.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.98 -9.96 11.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.52 175.22 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.737 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 p -101.01 152.23 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 116' ' ' ARG . 2.5 p -128.74 101.15 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -66.53 100.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.512 ' C ' ' CG2' ' A' ' 127' ' ' THR . 23.7 t -94.19 155.46 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.512 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 1.4 p -154.07 -178.5 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 140' ' ' VAL . 9.9 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.448 ' HG2' ' HA ' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -129.57 142.89 50.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.483 ' CG2' HG12 ' A' ' 126' ' ' VAL . 2.1 t -135.3 126.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.56 38.11 7.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.8 t30 89.4 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.494 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -60.74 179.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.448 ' HA ' ' HG2' ' A' ' 134' ' ' LYS . 40.5 m-20 -125.38 117.86 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -58.0 108.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.61 -50.89 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.83 105.07 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.34 163.54 12.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.23 18.23 57.78 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.474 HG12 ' CG1' ' A' ' 22' ' ' VAL . 1.2 t -91.23 69.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 11.4 m -58.44 130.75 48.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.8 p -88.8 -104.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -110.61 -43.21 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -150.32 33.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.54 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -164.97 151.05 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.633 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 33.1 m -92.97 170.33 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 145' ' ' VAL . 1.4 t -136.87 127.08 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.633 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.1 m-85 -135.29 90.78 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.434 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 5.1 mtm -63.62 145.97 54.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -135.51 -179.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 1.6 p-10 -117.15 36.84 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 159' ' ' LEU . 47.1 m -164.59 150.14 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.962 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.576 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 85.0 t -73.45 11.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.627 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 14.6 mt 51.67 -86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.703 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.7 mtp 82.54 137.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 129.08 12.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.977 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 133' ' ' LEU . 7.6 p -131.12 167.14 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.93 157.92 33.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 165.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 11' ' ' TYR . . . -50.04 -42.96 40.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.626 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -56.19 -18.98 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . -82.46 -63.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.79 -53.31 48.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 46.3 t80 -38.97 -64.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.21 -49.99 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.58 -43.67 36.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -76.54 -50.38 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -119.74 82.96 27.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.78 4.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 p -135.64 -171.93 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 95.93 -178.01 34.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -92.16 8.93 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 61.2 p -87.18 164.1 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 145' ' ' VAL . 19.0 m -61.57 -33.86 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.05 -47.3 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -48.51 -23.75 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.518 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 18.6 ptp -93.13 -25.23 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' GLN . 27.6 m -55.5 -21.75 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -91.32 25.89 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.18 152.97 68.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.93 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.657 ' O ' ' C ' ' A' ' 31' ' ' ALA . 2.6 p 27.03 -104.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.657 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -17.45 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.594 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 74.7 t -36.0 -58.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.09 -50.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -66.4 -40.77 89.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' VAL . 6.5 p -49.25 -22.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -81.2 -35.09 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t-20 -64.52 134.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -172.541 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 1.14 8.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -122.01 -2.77 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 26.8 mt -116.21 -31.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -36.3 -35.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' CG ' ' A' ' 76' ' ' PHE . 99.4 m -68.16 -53.81 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.99 -56.91 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 40.2 m -47.16 -59.53 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -40.53 -39.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.17 -72.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -45.39 -60.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.518 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 10.7 p -43.21 -65.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.68 -23.13 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 2.1 mt-30 -38.62 -51.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -56.77 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -113.14 108.31 53.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 25.09 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' ' 52' ' ' ASN . 7.6 mt-30 -130.31 5.77 4.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.01 155.87 41.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 6.4 p30 -163.41 102.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.487 ' CD1' HG23 ' A' ' 99' ' ' THR . 15.8 mt -119.11 -10.81 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 7.5 p -57.47 -59.78 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' H ' ' CG1' ' A' ' 58' ' ' VAL . 2.8 m-20 -48.79 -32.56 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.3 m -73.84 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 6.0 mt -37.94 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.3 m-20 -84.85 51.47 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -176.42 106.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.45 138.75 10.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -58.82 104.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 11.5 m-30 -113.1 -173.27 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.514 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 17.8 m -149.99 86.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.42 ' CG2' HG22 ' A' ' 30' ' ' VAL . 56.2 t -51.75 130.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 103' ' ' VAL . 6.5 m-85 -119.94 69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -94.59 128.15 41.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -139.428 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.729 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.01 110.59 3.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 47.6 p -51.52 170.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -67.62 -17.92 64.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 -20.56 27.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -74.8 -47.0 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 36.9 m-85 -65.18 -38.2 89.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 m -56.09 -36.85 68.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 0.5 OUTLIER -45.26 -54.16 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.405 ' HB3' ' CG2' ' A' ' 83' ' ' THR . 6.1 mt -63.33 150.24 89.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.0 147.02 33.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.55 1.816 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 t -50.68 -48.5 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -57.9 -48.53 79.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.9 mm -62.41 -50.1 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -55.08 -19.79 8.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 89' ' ' THR . 4.5 tp10 -83.57 -45.55 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.5 mt -64.89 -12.43 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -92.93 30.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -164.78 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 89' ' ' THR . 19.9 m-20 -56.95 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.6 p 168.77 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.88 13.55 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -136.47 -46.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -67.45 -38.82 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -54.11 -42.68 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.429 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.75 -38.1 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 98' ' ' LEU . 1.8 mt -69.3 -60.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.496 ' CD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -45.03 -62.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.487 HG23 ' CD1' ' A' ' 57' ' ' LEU . 38.1 p -47.57 -50.69 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.5 t80 -61.62 -13.44 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.662 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.0 m-70 -96.29 23.41 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -160.91 118.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.572 HG23 ' CE2' ' A' ' 69' ' ' PHE . 41.4 t -95.39 157.31 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.82 99.87 10.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.52 100.67 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 127.24 26.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.9 m -144.44 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 3.2 p -87.85 166.5 24.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.443 ' CB ' HG13 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.02 52.26 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.43 -47.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -102.57 -18.02 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.65 -20.31 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.453 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 66.5 t -70.38 137.54 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.91 -171.45 13.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -67.53 107.5 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.58 110.92 21.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.33 107.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 75.8 p -71.8 151.08 43.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -51.18 -28.56 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 120' ' ' GLN . 4.9 tp60 -56.69 -42.24 78.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 129.43 -11.69 6.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 -178.36 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.79 133.31 55.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -107.48 106.05 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.4 m -67.08 75.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.486 HG11 ' CG2' ' A' ' 135' ' ' VAL . 44.3 t -60.33 147.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -141.83 175.52 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.507 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 5.3 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -130.79 161.15 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.486 ' CG2' HG11 ' A' ' 126' ' ' VAL . 1.2 t -152.55 119.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.98 50.8 2.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 87.11 -45.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 159' ' ' LEU . . . -48.84 171.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -119.91 119.35 33.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.507 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 72.3 t -63.58 120.98 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 7' ' ' GLY . 2.2 t -91.51 -53.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.626 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 5.2 t -153.2 108.87 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.81 -179.21 19.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.31 71.49 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 22' ' ' VAL . 1.6 t -84.11 53.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.2 m -43.04 130.63 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.518 ' CG2' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -99.52 -96.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -112.47 -75.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -121.8 36.99 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.5 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -171.16 150.17 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 153' ' ' TYR . 94.0 m -89.01 176.52 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.502 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.1 t -139.24 131.5 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.572 ' CE2' HG22 ' A' ' 151' ' ' THR . 75.3 m-85 -139.57 89.61 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.47 141.7 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.523 HD11 ' CE1' ' A' ' 101' ' ' HIS . 0.9 OUTLIER -133.35 170.63 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.416 ' OD1' ' OD2' ' A' ' 139' ' ' ASP . 5.3 p-10 -111.99 41.02 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.466 ' CA ' ' HB1' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -166.99 139.89 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' ' 159' ' ' LEU . 37.5 t -75.36 69.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.5 tp -31.28 129.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.693 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 30.0 mtt -126.76 150.59 71.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.429 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.02 139.4 24.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 1.6 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.438 HG13 ' CG ' ' A' ' 109' ' ' PRO . 2.1 p -119.32 144.39 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.39 146.79 18.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -164.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.2 Cg_endo -75.01 -66.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.464 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -35.87 -38.84 0.24 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -40.25 -30.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.93 -59.27 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.65 -43.99 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CZ ' ' OD1' ' A' ' 37' ' ' ASN . 83.2 t80 -63.17 -65.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -43.74 -52.53 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.86 -27.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -93.55 -39.84 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.7 m-80 -125.78 73.2 69.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' CG2' ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.01 -9.43 20.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 60.3 p -154.17 -167.63 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 80.21 -161.31 45.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.93 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.576 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -70.29 61.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . 66.4 m -137.43 162.42 33.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.512 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 17.4 t -53.78 -39.12 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.62 -35.54 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.04 -12.29 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.55 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 6.7 ptp -100.45 -11.46 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -65.06 -50.89 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.75 -18.1 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 48.7 m-20 -94.67 142.91 25.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.529 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.01 100.04 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.701 ' O ' ' C ' ' A' ' 31' ' ' ALA . 12.4 p 30.2 -122.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.64 -72.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' SER . 93.0 t -29.62 -60.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.66 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -33.14 -66.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CA ' ' HB2' ' A' ' 40' ' ' LEU . . . -48.32 -44.02 33.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.51 -22.1 42.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.432 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.0 m120 -92.05 -33.94 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.548 ' OD1' ' CZ ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -63.55 126.67 90.06 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.369 170.375 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.576 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 10.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.654 ' C ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt-10 -116.4 -18.26 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.895 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.82 -17.29 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.52 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 91.2 m -73.33 -53.04 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -57.62 -54.89 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.643 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -50.16 -53.67 26.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.368 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.99 -39.53 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.58 -72.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.643 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -44.33 -61.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.542 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 91.0 p -44.32 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 153.35 -19.45 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -50.27 -20.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.87 -44.74 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.597 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -109.81 98.06 31.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 14.33 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.4 mt-30 -128.33 6.65 5.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.597 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -125.9 -179.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.0 p30 169.77 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.577 ' CD1' ' HB2' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -94.28 -32.33 13.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 t -27.11 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -40.45 -56.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 57' ' ' LEU . 51.9 m -58.24 -58.82 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -40.06 -34.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -98.34 57.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 m -124.24 -92.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.88 178.26 36.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -63.35 108.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.476 ' HB2' ' CB ' ' A' ' 150' ' ' ALA . 13.6 m-30 -113.98 -168.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.519 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 87.8 m -152.51 88.21 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.677 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 38.3 t -50.71 141.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.602 ' CE2' HG21 ' A' ' 103' ' ' VAL . 8.3 m-85 -135.12 69.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.51 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -107.09 127.27 28.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -135.478 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.749 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.96 109.1 2.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.591 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 30.4 p -58.1 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.63 7.24 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.19 0.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.35 -49.24 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.749 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 66.3 m-85 -69.94 -24.36 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -18.24 62.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.89 -61.9 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.6 mt -47.82 151.84 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.28 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -50.6 -55.61 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.1 t -38.64 -56.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -48.54 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.69 -54.83 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -20.34 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.26 -45.36 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 87' ' ' LEU . 5.3 mt -57.92 -17.34 16.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -88.73 7.74 32.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.6 t -164.32 45.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 91' ' ' SER . 93.7 m-20 -120.71 -93.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 3.0 t 89.31 -26.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 24.92 12.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.57 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.75 -50.6 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -45.11 -39.98 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.534 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.38 -46.11 80.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -61.93 -50.82 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.577 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 2.0 mt -50.78 -62.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.554 ' CG2' ' CD2' ' A' ' 119' ' ' LEU . 15.1 p -50.03 -44.55 51.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 6.8 t80 -64.51 -14.66 58.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.617 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 36.3 m-70 -92.82 15.98 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.5 OUTLIER -154.23 126.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.602 HG21 ' CE2' ' A' ' 69' ' ' PHE . 44.5 t -105.28 144.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.14 107.8 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 121.54 110.63 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -66.61 137.19 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.437 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 34.7 m -157.21 134.18 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 p -65.78 165.59 19.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.438 ' CG ' HG13 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 52.03 2.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.82 -44.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -102.32 -28.97 11.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.81 -24.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 114' ' ' GLY . 12.5 p -57.51 153.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 113' ' ' VAL . . . 76.77 -165.83 53.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.2 m -61.63 135.41 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.483 ' CG ' HG11 ' A' ' 103' ' ' VAL . 2.7 tpm_? -149.74 123.47 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.503 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 28.9 tt0 -58.11 137.92 56.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.488 ' CG2' HG11 ' A' ' 124' ' ' VAL . 22.4 p -110.69 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.554 ' CD2' ' CG2' ' A' ' 99' ' ' THR . 4.8 tt -61.7 -49.54 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.513 ' N ' ' HB ' ' A' ' 99' ' ' THR . 17.9 tp60 -48.51 -20.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 102.19 -10.11 56.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -81.61 -169.21 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.98 136.75 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.488 HG11 ' CG2' ' A' ' 118' ' ' THR . 7.5 p -106.97 127.6 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.2 m -87.58 76.16 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 135' ' ' VAL . 20.0 t -67.67 163.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.411 ' OG1' ' C ' ' A' ' 126' ' ' VAL . 3.8 m -155.3 170.66 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.949 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 133' ' ' LEU . 10.1 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.4 mttt -132.15 156.28 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.461 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -155.33 125.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.79 39.03 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.5 t-20 89.74 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 157' ' ' SER . . . -55.03 177.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 9.5 m-20 -120.45 121.78 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.49 106.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.49 HG22 ' CA ' ' A' ' 155' ' ' ILE . 2.2 t -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.483 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 19.3 t -155.23 108.91 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 167.63 12.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 21.95 67.85 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.512 ' CG1' ' HA ' ' A' ' 22' ' ' VAL . 11.3 t -93.68 53.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.8 m -40.16 116.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 2.6 p -83.85 -103.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.71 -78.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -123.52 45.16 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.508 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -177.88 135.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.689 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 65.5 m -68.06 172.66 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.497 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.8 t -135.31 126.93 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 78.7 m-85 -135.78 81.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.591 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 15.7 mtm -60.42 145.88 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.582 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -135.9 -179.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -114.31 17.85 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.509 ' C ' ' H ' ' A' ' 159' ' ' LEU . 2.9 m -140.68 141.61 34.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 159' ' ' LEU . 98.8 t -74.76 14.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.633 ' O ' ' O ' ' A' ' 158' ' ' VAL . 64.3 mt 38.05 -169.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 173.19 139.93 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.534 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 142.97 28.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 133' ' ' LEU . 3.9 p -114.76 172.58 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.38 156.07 21.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -66.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.01 -36.44 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -44.58 -28.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -75.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.83 -51.39 9.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 61.0 t80 -38.27 -66.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.76 -55.68 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.73 -39.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.14 -46.85 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -127.12 80.07 72.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.02 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.7 p -121.86 147.44 45.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 -161.25 24.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -42.57 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -80.81 54.59 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -134.12 170.84 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.52 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 59.0 t -65.55 -36.97 78.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -86.01 -39.89 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.26 -41.57 54.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.468 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 15.0 ptp -76.71 -20.51 56.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.408 ' HA ' ' C ' ' A' ' 147' ' ' THR . 0.9 OUTLIER -72.65 -12.11 60.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.34 17.48 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -152.0 169.48 9.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 137.8 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.623 ' C ' ' O ' ' A' ' 29' ' ' PRO . 2.0 m -20.93 -53.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -43.82 -88.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 35' ' ' SER . 59.8 t -45.86 -35.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -49.17 -28.07 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.64 -24.87 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 10.3 t -63.62 -11.56 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -91.47 -42.74 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' ' CG2' ' A' ' 41' ' ' THR . 0.5 OUTLIER -64.55 134.19 95.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -170.691 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.96 4.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.55 -4.71 9.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD2' ' HB1' ' A' ' 70' ' ' ALA . 29.0 mt -115.64 -32.57 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.07 -36.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -67.96 -53.78 23.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.23 -51.97 67.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.598 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 47.9 m -48.2 -49.82 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -48.34 -37.3 16.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.32 -70.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.598 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -45.34 -61.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.505 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 63.7 p -44.66 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.69 -22.12 0.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.5 mt-30 -38.57 -40.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -56.51 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.452 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -113.65 113.78 47.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 10.61 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -119.33 8.93 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.14 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 2.3 p30 -169.53 102.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.18 -27.52 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 57' ' ' LEU . 20.3 t -31.76 -62.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.74 -54.87 3.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 16.3 m -62.84 -64.23 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' THR . 6.5 mt -32.89 -39.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 t30 -94.28 58.36 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.6 m -125.62 -92.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.11 171.55 24.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -55.12 106.85 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 9.1 m-30 -111.69 -178.88 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.476 ' CG2' ' HE2' ' A' ' 153' ' ' TYR . 11.8 m -145.61 86.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.36 132.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.662 ' CE2' HG21 ' A' ' 103' ' ' VAL . 7.4 m-85 -120.33 68.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -94.84 127.38 43.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -137.84 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.725 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.08 112.97 3.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 39.6 p -52.07 169.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -22.37 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -16.84 39.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -74.87 -45.27 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.725 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.7 m-85 -68.94 -40.0 79.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -51.25 -51.98 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.039 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 1.4 mtmm -38.67 -57.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' A' ' 158' ' ' VAL . 4.6 mt -47.29 149.4 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 138.55 23.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.2 -48.57 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 m -45.54 -47.46 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.59 -49.58 74.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.9 -57.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -49.54 -24.51 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' ASN . 8.1 tp10 -77.98 -45.25 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 87' ' ' LEU . 6.0 mt -64.0 -10.96 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -91.53 28.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 90' ' ' ASN . 14.6 t -163.15 -35.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.492 ' N ' HG23 ' A' ' 89' ' ' THR . 2.4 m-20 -65.1 164.85 12.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.4 p -155.14 22.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.13 -47.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -29.69 45.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.07 -43.35 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -51.1 -46.9 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -51.75 -41.59 61.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 98' ' ' LEU . 1.9 mt -63.14 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.494 ' CD2' HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -47.81 -59.08 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.548 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 18.4 p -52.75 -49.22 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 160' ' ' MET . 43.1 t80 -61.04 -16.88 48.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.654 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.9 m-70 -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -157.48 124.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.5 t -105.75 138.18 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -80.25 104.48 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 67' ' ' THR . . . 133.73 113.23 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.7 140.42 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -156.97 171.98 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.1 164.76 14.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.402 ' CB ' HG13 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.96 51.38 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.79 -46.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 113' ' ' VAL . 65.8 m-20 -99.57 -30.23 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.96 -28.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 111' ' ' ASN . 9.4 p -55.48 161.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.39 -170.36 52.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 47.3 m -66.1 131.95 47.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.354 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.497 ' HD2' ' CG1' ' A' ' 103' ' ' VAL . 5.3 tpp180 -138.76 117.72 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.73 115.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.431 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 30.7 p -73.7 164.47 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.615 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -65.1 -25.47 67.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.562 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 28.8 tp60 -66.0 -21.83 66.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.78 6.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.58 -172.85 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -124.32 147.5 48.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.422 ' CG2' HD22 ' A' ' 159' ' ' LEU . 7.4 p -120.97 117.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.5 m -74.1 80.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.473 HG13 ' CG2' ' A' ' 135' ' ' VAL . 26.0 t -67.96 146.89 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 126' ' ' VAL . 4.7 m -141.43 176.28 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.502 ' HA3' ' CD2' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.624 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 10.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.501 ' CE ' ' OD1' ' A' ' 139' ' ' ASP . 32.2 mttt -136.63 159.08 42.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.473 ' CG2' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -154.08 121.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 36.09 53.31 1.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t30 86.57 -46.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -46.79 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.501 ' OD1' ' CE ' ' A' ' 134' ' ' LYS . 26.1 m-20 -123.55 110.4 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.624 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 54.6 t -55.67 110.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.77 -50.63 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.401 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 34.2 t -153.79 104.32 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.288 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.542 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.82 174.33 16.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 75.35 18.07 80.04 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.52 ' CG1' ' HA ' ' A' ' 22' ' ' VAL . 2.4 t -87.0 64.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.8 m -51.08 124.71 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.496 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.8 p -89.89 -108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -108.24 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.479 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -126.75 38.97 4.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.513 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . . . -176.15 167.89 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.578 HG22 ' CE2' ' A' ' 153' ' ' TYR . 33.1 m -104.11 179.92 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 0.9 OUTLIER -143.53 128.84 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.578 ' CE2' HG22 ' A' ' 151' ' ' THR . 80.4 m-85 -137.62 86.91 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.471 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -59.51 145.14 45.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 72' ' ' THR . 1.1 pt -138.22 170.8 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.412 ' O ' ' OG ' ' A' ' 157' ' ' SER . 7.0 p-10 -112.06 46.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.427 ' N ' ' HB1' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -171.62 143.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 159' ' ' LEU . 32.0 t -78.6 69.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -32.03 129.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.694 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 12.0 mtt -123.24 148.47 55.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.425 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.1 127.4 10.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.986 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.95 136.74 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.66 155.88 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 177.535 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -47.19 -36.98 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -29.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -67.5 -75.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -52.94 -52.35 58.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -38.97 -54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.14 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -36.65 73.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' GLU . . . -79.69 -44.41 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -123.14 76.44 51.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -59.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 p -115.6 155.11 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 124.9 -166.62 17.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.65 10.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -89.23 42.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 78.2 p -119.17 172.87 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' A' ' 145' ' ' VAL . 61.3 t -68.02 -39.84 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.21 -36.68 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.97 -38.55 95.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.476 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 15.2 ptp -77.78 -14.34 59.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 27' ' ' GLN . 3.6 p -61.98 -64.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.483 ' N ' ' OG ' ' A' ' 26' ' ' SER . 3.9 mt-30 -37.85 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 148' ' ' ALA . 37.2 m-20 -85.43 142.34 37.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.1 Cg_endo -74.95 101.84 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.782 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' A' ' 31' ' ' ALA . 2.4 p 29.7 -104.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.626 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -19.85 -83.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 46.3 t -28.36 -54.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -41.67 -61.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.64 -26.38 13.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -80.04 44.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 35' ' ' SER . 26.7 m-80 -161.4 -40.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 2.3 m-20 -53.89 136.15 56.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 175.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.96 6.15 3.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.8 mm-40 -128.25 2.75 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' LEU . 43.6 mt -121.67 -32.93 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.2 p -35.5 -41.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -62.72 -54.46 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.33 -43.23 96.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.553 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -48.61 -60.9 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.17 -35.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . . . -67.75 -72.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -44.4 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.495 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 2.8 p -41.55 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.22 -17.57 1.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -19.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.726 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -39.22 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.578 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 1.8 m-80 -128.83 105.45 18.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -108.84 -2.92 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.578 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -117.74 176.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.2 p30 174.51 99.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.666 ' O ' ' C ' ' A' ' 58' ' ' VAL . 4.1 mm? -98.25 -51.43 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.666 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -14.53 -79.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -36.93 -59.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 57' ' ' LEU . 36.0 m -51.89 -44.73 63.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.564 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -60.72 -32.69 71.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.35 32.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.7 m -90.27 -93.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.642 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.22 -175.28 15.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -47.02 106.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.231 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -114.96 -176.48 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.655 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 13.5 m -156.14 90.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.3 t -53.73 139.55 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CE2' HG23 ' A' ' 67' ' ' THR . 10.6 m-85 -128.62 64.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -95.13 133.4 26.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -135.579 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.755 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.0 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 24.8 p -58.98 179.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -62.21 -28.02 69.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -15.69 50.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' O ' ' CG2' ' A' ' 158' ' ' VAL . . . -75.44 -42.44 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.755 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 54.7 m-85 -79.88 -35.01 38.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -61.02 -32.56 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -51.97 -54.98 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.73 151.72 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.39 33.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.33 -54.99 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -39.02 -50.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.94 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.21 -51.72 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.4 ' C ' ' N ' ' A' ' 86' ' ' GLU . 41.3 mm -58.39 -56.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.36 -22.83 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 89' ' ' THR . 1.5 tp10 -81.26 -49.97 10.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.501 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 5.6 mt -51.91 -42.49 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -67.43 -3.08 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.48 HG21 ' O ' ' A' ' 86' ' ' GLU . 1.1 t -132.04 11.37 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 38.4 m-20 -109.5 -160.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.6 t 169.74 -28.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.5 p -105.81 25.65 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -45.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.481 ' CD2' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -73.43 -52.61 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.47 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.2 m -39.28 -45.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.534 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.71 -45.42 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' LEU . 1.5 mt -60.82 -58.02 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 97' ' ' ILE . 1.1 mt -47.42 -58.45 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.543 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 1.8 p -52.28 -46.46 65.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 160' ' ' MET . 10.4 t80 -62.67 -15.81 54.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.707 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 18.6 m-70 -92.25 20.7 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -155.07 130.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 69' ' ' PHE . 4.1 t -105.2 162.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -121.71 101.93 7.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 160.77 -48.05 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.655 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 79.59 127.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 6.0 m -162.08 125.28 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 p -50.18 166.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 48.67 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.28 -44.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 21.9 m-20 -98.77 -27.54 13.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.5 p -52.54 -20.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 127' ' ' THR . 9.8 p -68.07 150.69 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.28 -102.58 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.8 m -135.57 116.05 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.455 ' CB ' HG13 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -108.17 127.91 54.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.68 101.73 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.504 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 7.3 p -61.56 155.79 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.589 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -61.3 -24.82 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.582 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.33 -27.2 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.93 -23.81 9.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.531 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -76.31 -178.34 4.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.4 p -112.48 153.53 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG13 ' CB ' ' A' ' 116' ' ' ARG . 3.2 p -128.56 103.31 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.8 m -63.39 103.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 135' ' ' VAL . 25.1 t -96.43 157.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.43 ' HA ' ' CG2' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.94 166.72 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.444 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.444 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 7.7 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 9.2 mttt -137.78 155.5 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 159' ' ' LEU . 1.5 t -151.97 119.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.05 44.43 9.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 6.9 t30 86.89 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -58.39 174.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.459 ' N ' ' OD2' ' A' ' 156' ' ' ASP . 14.3 m-20 -121.13 112.98 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 134' ' ' LYS . 72.9 t -57.27 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.2 t -61.52 -61.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.1 t -145.59 105.47 4.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.01 167.18 12.26 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.86 16.07 68.72 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.49 HG12 ' CG2' ' A' ' 22' ' ' VAL . 1.5 t -88.37 57.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.1 m -47.41 127.23 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 3.2 p -92.75 -106.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' ASP . . . -91.85 -72.61 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -130.11 25.38 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -150.34 144.55 25.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.63 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 23.9 m -81.61 172.87 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 1.7 t -138.54 125.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.63 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.2 m-85 -135.3 87.1 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.483 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.8 OUTLIER -65.58 120.62 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.624 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 1.2 pp -113.38 178.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 11.3 p-10 -118.97 52.27 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.465 ' O ' HD12 ' A' ' 155' ' ' ILE . 1.1 m -176.56 125.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' A' ' 159' ' ' LEU . 22.0 t -70.02 70.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.552 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 62.5 mt -29.15 145.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.596 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.29 143.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.534 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 135.23 18.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.9 m -133.08 141.91 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.13 153.26 10.05 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.97 98.73 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.76 -34.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -70.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -45.83 -50.46 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' ALA . 59.7 t80 -43.46 -65.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.7 -47.88 7.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.89 -39.21 38.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.06 -47.54 14.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -122.63 77.48 47.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -25.35 11.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.3 p -132.2 -168.16 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.62 179.21 51.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.42 1.075 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.69 20.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -82.05 6.17 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 90.4 p -86.6 169.04 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG2' HG12 ' A' ' 145' ' ' VAL . 55.7 t -63.92 -37.33 79.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -31.91 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -62.06 -28.24 70.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.469 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 21.2 ptp -88.43 -9.74 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.468 ' HA ' ' C ' ' A' ' 147' ' ' THR . 43.2 m -76.89 -26.25 53.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.6 -26.03 64.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.31 169.13 6.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' CB ' ' OD1' ' A' ' 62' ' ' ASN . 18.3 Cg_endo -75.03 161.15 39.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.62 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 9.8 p -36.13 -34.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -65.53 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 31' ' ' ALA . 16.0 t -33.19 -48.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB2' ' CG2' ' A' ' 147' ' ' THR . . . -37.03 -54.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -74.47 -39.56 62.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.432 ' CB ' HG21 ' A' ' 44' ' ' THR . 5.8 t -47.54 -25.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.79 -46.76 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 4.0 t-20 -54.1 130.55 59.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -171.797 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.04 1.61 7.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 2.0 mm-40 -116.95 -7.78 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 59.8 mt -107.08 -28.08 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' LEU . 2.9 p -36.83 -32.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -69.05 -55.88 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.512 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.01 -52.36 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.616 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.5 m -46.93 -52.48 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -46.7 -36.12 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.9 -69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.616 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.79 -62.08 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.482 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 97.3 p -44.41 -61.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 144.63 -22.96 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -38.78 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 -48.14 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -132.04 127.19 20.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 5.09 4.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.43 3.24 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.45 140.5 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.0 p30 -162.87 105.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 13.9 mt -109.87 -20.85 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 19.6 t -38.4 -33.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.2 t70 -77.46 -54.27 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' LEU . 92.5 m -58.99 -61.79 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.94 -37.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 29' ' ' PRO . 1.8 m-80 -85.2 48.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB2' ' OH ' ' A' ' 66' ' ' TYR . 2.6 m -106.09 -94.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -116.52 178.6 17.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -50.12 108.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 8.4 m-30 -111.97 -170.17 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.533 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 41.6 m -152.49 86.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.62 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 35.2 t -52.54 135.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.609 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 16.9 m-85 -126.54 72.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.656 ' C ' HD11 ' A' ' 155' ' ' ILE . . . -107.06 125.48 32.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 -136.303 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.863 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 118.53 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 4.0 p -59.26 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.14 10.33 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.6 -9.34 11.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.03 -55.82 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.863 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 63.8 m-85 -64.84 -32.0 73.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -58.49 -38.53 77.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 24.3 mtpt -51.71 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.539 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -37.47 154.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.51 23.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.13 -51.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -47.39 84.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.79 -57.08 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.54 -23.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 89' ' ' THR . 1.1 tp10 -81.54 -47.92 12.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 6.4 mt -53.56 -22.66 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 12.5 mttt -88.7 23.4 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 86' ' ' GLU . 10.2 t -168.39 34.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.517 ' ND2' ' CD2' ' A' ' 93' ' ' LEU . 79.0 m-20 -122.53 -41.78 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER 39.39 29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 90' ' ' ASN . 1.8 m -149.71 -53.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' CD2' ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -81.12 -17.5 49.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -89.56 -38.57 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -54.73 -43.98 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.468 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -56.1 -37.78 69.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.512 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 1.0 OUTLIER -64.33 -55.26 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -46.9 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.466 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 67.6 p -43.2 -52.28 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 5.4 t80 -58.45 -18.14 26.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.642 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 53.5 m-70 -93.98 23.71 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -164.19 115.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.609 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 15.7 t -102.72 146.47 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.86 113.36 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.485 ' O ' ' NH1' ' A' ' 116' ' ' ARG . . . 124.63 97.65 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.428 HE21 ' N ' ' A' ' 150' ' ' ALA . 0.0 OUTLIER -58.96 131.84 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.467 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 38.6 m -145.69 134.34 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 1.6 p -67.66 163.17 51.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.453 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.03 46.08 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.31 18.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' VAL . 23.5 m-80 -151.72 -50.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.28 -40.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 111' ' ' ASN . 3.2 p -40.34 138.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.49 -171.74 17.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.786 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.485 ' NH1' ' O ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -111.22 113.77 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.486 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 32.0 tt0 -69.5 103.62 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.499 ' CG2' HG22 ' A' ' 103' ' ' VAL . 4.7 p -80.94 173.33 12.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.463 ' C ' ' N ' ' A' ' 121' ' ' GLY . 17.5 mt -55.77 -57.83 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.468 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -40.0 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 106.39 -18.77 38.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.425 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -76.03 142.27 41.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 m -84.68 128.51 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.489 HG12 ' CG2' ' A' ' 118' ' ' THR . 7.3 p -100.98 99.69 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 27.8 m -65.04 77.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 135' ' ' VAL . 40.2 t -63.99 165.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.438 ' HA ' ' CG2' ' A' ' 113' ' ' VAL . 17.3 m -155.77 173.62 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 179.993 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 133' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.521 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -130.06 154.5 47.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ASN . 2.0 t -141.29 103.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 65.17 -58.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.521 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -156.31 -39.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.478 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -59.85 170.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 141' ' ' VAL . 21.8 m-20 -114.54 122.29 46.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.1 136.33 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.1 t -114.55 -56.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.2 t -144.28 96.74 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.336 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.32 163.28 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.5 58.23 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.489 HG12 ' CG2' ' A' ' 22' ' ' VAL . 1.5 t -89.1 52.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.596 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 61.5 m -47.2 126.94 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.529 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.9 p -84.95 -111.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -102.13 -38.55 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -158.98 47.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.545 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -178.45 132.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 146' ' ' SER . 17.3 m -71.35 172.34 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.485 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -143.5 125.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.589 ' CE2' HG22 ' A' ' 151' ' ' THR . 96.8 m-85 -133.25 94.66 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.547 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 15.3 mtm -70.71 115.81 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.656 HD11 ' C ' ' A' ' 70' ' ' ALA . 1.2 pp -109.56 168.07 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.487 ' O ' ' OG ' ' A' ' 157' ' ' SER . 7.0 p-10 -100.15 44.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.563 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -174.67 140.62 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.582 HG22 ' CG ' ' A' ' 160' ' ' MET . 0.8 OUTLIER -76.54 32.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.624 ' O ' ' CB ' ' A' ' 160' ' ' MET . 35.4 mt 36.73 -92.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.653 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 4.9 mtp 92.53 137.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.99 138.96 23.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.051 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.4 m -124.66 134.62 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 141' ' ' VAL . . . 111.85 152.3 11.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -175.033 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.93 -67.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -36.47 -35.49 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.54 -30.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -86.0 -66.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -45.22 -49.69 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.439 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 79.3 t80 -53.11 -65.57 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.66 -39.67 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.42 -30.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 -33.31 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 16.7 m-80 -123.57 79.28 55.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.3 p -114.92 -15.97 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -45.41 177.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.63 21.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.548 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -104.91 32.45 4.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.7 p -107.68 173.33 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG2' HG11 ' A' ' 145' ' ' VAL . 43.2 t -56.61 -48.32 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 26' ' ' SER . 54.2 tt0 -82.39 -47.41 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -47.14 25.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.538 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.5 ptp -68.66 -17.4 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 3.6 t -64.68 -40.84 96.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -66.26 -10.87 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 66.1 m-20 -100.67 146.4 32.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.02 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.699 ' O ' ' C ' ' A' ' 31' ' ' ALA . 9.7 p 29.92 -119.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -10.14 -71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.6 -62.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -30.81 -75.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 40' ' ' LEU . . . -50.62 -37.38 39.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -59.18 -15.64 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.7 m-80 -113.17 -18.94 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.619 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 2.7 m120 -61.0 128.34 89.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 169.586 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -75.0 7.67 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.634 ' C ' HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.61 -18.92 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.902 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -103.92 -14.51 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -41.72 -31.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -72.25 -49.35 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.04 -57.92 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.536 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.1 m -48.25 -63.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -36.62 -37.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.78 -70.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -49.87 -60.11 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.486 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.05 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 154.83 -22.81 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -43.14 -26.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 1.7 tp -92.01 -40.51 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.51 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.32 121.19 10.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 8.95 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -116.34 9.91 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 t -130.35 151.71 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.1 p30 -169.56 109.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' THR . 16.6 mt -126.95 -38.32 2.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.52 ' C ' ' O ' ' A' ' 57' ' ' LEU . 7.4 p -31.41 -59.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' H ' ' CG1' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -45.07 -52.62 8.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -60.65 -58.72 7.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 5.1 mt -35.61 -34.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 60' ' ' THR . 34.3 t30 -88.33 53.3 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.29 110.0 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 87.87 138.16 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.4 mp0 -52.23 104.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 119' ' ' LEU . 6.5 m-30 -109.22 -174.85 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.517 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 35.7 m -149.32 90.71 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 4.8 t -54.51 142.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.603 ' CE2' HG23 ' A' ' 103' ' ' VAL . 11.0 m-85 -133.21 59.64 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -99.78 129.03 29.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -136.471 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.825 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.99 108.43 2.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.559 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 71.6 p -56.04 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.633 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -87.18 -8.59 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.577 ' N ' HD21 ' A' ' 73' ' ' ASN . . . -106.32 21.69 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.07 -36.96 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 41.4 m-85 -86.52 -24.7 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.8 m -71.56 -7.5 48.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 74' ' ' ALA . 3.4 mtmm -81.27 -10.83 59.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 158' ' ' VAL . 2.4 mt -110.69 155.94 41.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.23 42.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.83 -38.25 61.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.37 -49.4 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -49.34 77.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.43 -39.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.44 -30.35 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.15 -39.33 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 6.1 mt -62.26 -35.37 78.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.489 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 15.7 mttt -73.33 1.85 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.0 t -144.7 36.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' SER . 96.6 m-20 -119.05 -85.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.8 t 83.56 -3.34 1.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p -125.55 -41.44 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -25.33 20.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.42 -57.18 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 t -41.87 -41.0 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.94 -49.66 74.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.5 -51.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 1.6 mt -51.54 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 22.6 p -49.44 -45.68 46.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.656 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.4 t80 -59.42 -25.21 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.733 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 20.8 m-70 -85.22 16.31 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.433 ' HB ' HD12 ' A' ' 119' ' ' LEU . 2.2 t -148.85 147.31 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.603 HG23 ' CE2' ' A' ' 69' ' ' PHE . 30.0 t -129.99 141.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.97 99.94 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.36 90.05 0.28 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.404 ' O ' ' OG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -48.25 140.54 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.429 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 22.8 m -159.8 129.04 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -60.27 165.0 5.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.84 -46.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -96.84 -25.9 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.66 -26.96 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.46 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 10.2 p -58.9 154.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 113' ' ' VAL . . . 83.55 -167.29 44.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 25.1 m -67.95 122.37 18.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' CG ' HG13 ' A' ' 103' ' ' VAL . 4.9 tpm_? -130.43 133.41 46.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.472 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 40.4 tt0 -73.67 128.12 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 68.5 p -103.22 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 66' ' ' TYR . 14.2 mt -59.59 -49.08 79.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.495 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 22.3 tp60 -49.95 -20.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.71 -30.24 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.81 175.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 0.809 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.438 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 0.3 OUTLIER -113.46 138.68 49.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 p -106.02 121.75 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.3 m -73.72 72.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 135' ' ' VAL . 27.7 t -60.76 149.28 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.445 ' N ' HG12 ' A' ' 126' ' ' VAL . 7.4 m -148.1 176.07 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.616 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 9.4 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 127' ' ' THR . 60.7 mttt -139.98 160.78 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -153.97 120.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.03 48.13 6.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.2 t30 87.79 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.466 ' HB2' ' CD2' ' A' ' 159' ' ' LEU . . . -52.18 176.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 141' ' ' VAL . 1.5 m-20 -123.23 116.75 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 41.7 t -58.43 88.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 154' ' ' MET . 4.2 t -57.08 -59.48 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 145' ' ' VAL . 43.5 t -144.64 98.9 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.576 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.88 168.86 13.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.29 27.1 70.54 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.494 ' CG2' ' SG ' ' A' ' 142' ' ' CYS . 6.6 t -100.65 51.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.1 m -36.59 112.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 0.9 OUTLIER -75.82 -97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -107.27 -78.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -121.88 43.17 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 66' ' ' TYR . . . -176.77 136.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.631 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 12.6 m -64.4 174.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.492 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -140.41 122.88 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.631 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.3 m-85 -135.88 84.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.559 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 1.3 mpp? -70.9 112.17 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.1 pp -102.67 173.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' A' ' 157' ' ' SER . 17.2 p-10 -111.55 45.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.444 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -173.34 119.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.745 ' CG2' ' O ' ' A' ' 158' ' ' VAL . 1.0 OUTLIER -67.5 74.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.586 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 21.3 mt -32.84 154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.656 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 mtt -134.01 144.14 50.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 1.9 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.683 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -87.98 -176.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.683 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . 68.59 159.54 1.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 144.511 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 18.1 Cg_endo -75.02 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -41.64 -58.8 2.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -37.66 -35.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . -56.57 -60.9 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -76.7 -51.69 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLY . 52.0 t80 -35.71 -67.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.22 -56.06 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.37 -36.93 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.18 -44.4 19.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -128.24 76.46 78.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.03 -62.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -123.03 107.28 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . -179.38 -160.63 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -91.24 52.33 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 67.2 p -126.24 167.5 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 145' ' ' VAL . 2.5 m -66.6 -11.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -106.58 -45.48 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.09 -17.88 11.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.428 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 21.9 ptp -99.0 -9.86 23.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.794 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 147' ' ' THR . 26.3 t -75.91 -37.09 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.21 -3.09 47.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.31 161.4 35.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 139.24 24.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -22.7 -50.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -47.3 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 14.8 t -44.21 -38.39 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.492 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -44.95 -25.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' VAL . . . -101.92 -32.65 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.59 ' N ' ' HG1' ' A' ' 44' ' ' THR . 12.8 p -57.61 -17.02 12.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 53.7 m-80 -79.2 -39.84 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HB3' ' CG ' ' A' ' 40' ' ' LEU . 16.2 t-20 -75.96 138.45 69.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -156.097 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.06 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -122.58 -4.0 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CG ' ' HB3' ' A' ' 37' ' ' ASN . 2.4 mt -121.93 -6.76 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -56.95 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.531 HG22 ' CD2' ' A' ' 76' ' ' PHE . 5.9 t -61.55 -32.26 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 1.1 tp -64.11 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.59 ' HG1' ' N ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -46.49 -60.28 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -38.06 -38.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -66.73 -71.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.576 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -48.76 -61.46 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.561 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 38.5 p -42.95 -57.72 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 139.68 -22.01 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 13.3 mt-30 -37.71 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -84.55 -51.12 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.488 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -122.66 128.18 25.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 2.7 6.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -115.87 -2.2 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 52' ' ' ASN . 3.6 m -114.56 130.69 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 4.0 p30 -157.83 84.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -95.54 14.05 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 1.3 t -69.91 -65.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.63 -43.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 62' ' ' ASN . 8.3 m -70.76 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 2.6 mt -39.57 -29.23 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 60' ' ' THR . 44.6 t30 -95.52 57.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 62' ' ' ASN . 4.1 m 178.16 106.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.15 142.63 12.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mp0 -63.0 105.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.7 m-30 -114.83 -176.44 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 19.7 m -147.75 86.53 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 21.6 t -52.44 135.15 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.58 ' CE2' HG22 ' A' ' 103' ' ' VAL . 11.6 m-85 -123.75 70.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -95.13 129.38 35.62 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -139.793 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.774 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.04 122.2 7.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 36.0 p -64.8 175.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -67.03 -16.87 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.29 -20.04 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB2' ' CA ' ' A' ' 157' ' ' SER . . . -74.94 -44.0 51.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.5 m-85 -71.46 -42.08 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -55.32 -44.16 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -40.69 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.75 153.28 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 138.48 22.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -38.58 -36.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -57.47 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.65 -46.42 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 87' ' ' LEU . 32.1 mm -62.12 -71.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.511 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 3.1 t70 -40.47 -28.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.459 ' N ' ' C ' ' A' ' 84' ' ' ILE . 1.0 OUTLIER -73.69 -46.54 45.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.6 mt -49.79 -32.86 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.518 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -81.96 29.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 87' ' ' LEU . 6.3 t -172.52 31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 86.2 m-20 -119.79 -72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 8.9 t 75.38 0.02 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.44 -48.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -17.95 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -87.49 -45.99 10.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' ' OG1' ' A' ' 99' ' ' THR . 47.6 m -57.58 -46.64 83.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 1.2 m -51.68 -35.06 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 98' ' ' LEU . 5.0 mt -68.14 -64.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -41.23 -56.17 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.511 ' CB ' ' HG2' ' A' ' 120' ' ' GLN . 1.1 p -51.47 -50.97 58.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.702 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.4 t80 -60.29 -16.46 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.651 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 37.5 m-70 -93.74 23.4 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.568 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -157.89 127.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.58 HG22 ' CE2' ' A' ' 69' ' ' PHE . 20.7 t -106.97 160.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -102.57 105.11 15.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 126.99 86.16 0.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -36.66 131.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.7 m -131.89 170.89 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.52 162.41 22.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.49 ' HB2' ' CG2' ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.52 -46.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.04 -22.2 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.29 -24.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.439 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 15.6 t -61.13 131.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.16 164.18 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.69 86.94 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -173.53 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -130.96 98.91 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.442 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 66.8 p -54.53 150.6 8.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.585 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -53.21 -24.05 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.577 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -62.88 -46.59 87.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 139.19 -26.36 2.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.433 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -77.62 161.11 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.96 138.02 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.34 106.68 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.5 m -69.12 105.38 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' CG2' ' A' ' 135' ' ' VAL . 45.4 t -99.64 140.51 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.7 m -135.57 175.4 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.992 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.487 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 5.9 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.59 164.59 23.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.519 ' O ' ' CB ' ' A' ' 138' ' ' ALA . 1.7 t -166.33 129.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 29.48 79.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER 39.54 49.83 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 135' ' ' VAL . . . -147.96 172.03 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.7 m-20 -122.59 121.56 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 74.5 t -61.42 112.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 72' ' ' THR . 2.4 t -80.63 -43.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.452 ' HA ' HG12 ' A' ' 4' ' ' VAL . 36.5 t -163.06 119.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -122.46 -171.63 13.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 60.97 18.74 55.24 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.489 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.4 t -86.57 57.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -47.2 133.44 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 3.2 p -100.79 -105.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -104.05 -65.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.439 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -131.07 38.47 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -171.61 154.71 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.583 HG21 ' CE2' ' A' ' 153' ' ' TYR . 58.5 m -92.73 176.5 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.489 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.0 OUTLIER -140.4 131.43 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.583 ' CE2' HG21 ' A' ' 151' ' ' THR . 76.8 m-85 -140.33 91.33 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.535 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -63.5 145.28 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.546 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -138.32 176.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -112.85 31.08 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.52 ' C ' ' H ' ' A' ' 159' ' ' LEU . 1.9 m -156.28 145.07 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.626 ' O ' ' N ' ' A' ' 160' ' ' MET . 89.3 t -73.73 13.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 157' ' ' SER . 7.2 mt 48.38 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.702 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 21.9 mtp 77.2 138.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.436 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 127.2 10.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.442 ' HD3' ' CZ ' ' A' ' 100' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.83 137.8 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.24 156.08 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 177.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 11' ' ' TYR . . . -62.11 -37.11 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -29.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.93 -75.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -44.6 -52.07 8.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ALA . 52.3 t80 -37.31 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.9 -51.42 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.58 -47.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.9 -52.36 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.27 80.55 12.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.01 -27.99 9.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.5 p -140.89 -159.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.19 -171.13 54.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.69 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -85.93 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.511 ' O ' ' CE ' ' A' ' 25' ' ' MET . 77.5 p -129.46 177.89 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' CG1' ' A' ' 145' ' ' VAL . 4.9 t -72.31 -40.51 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.0 tp60 -89.5 -49.71 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.17 -27.8 2.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.527 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 12.9 ptp -92.96 -22.51 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLN . 2.2 m -64.82 -12.75 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -93.28 11.09 29.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 76.6 m-20 -128.28 152.01 77.28 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 96.9 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.686 ' O ' ' C ' ' A' ' 31' ' ' ALA . 3.8 p 29.86 -113.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.686 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -12.06 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.55 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 56.5 t -34.34 -60.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -40.26 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -48.01 -29.35 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.6 p -78.72 47.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -160.16 -40.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.486 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.55 133.16 26.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 171.38 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 3.64 5.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 2.5 mm-40 -121.8 -3.3 9.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 38.8 mt -114.13 -30.84 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 2.6 p -37.79 -33.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.679 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.1 t -70.54 -51.72 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.502 ' N ' ' CG2' ' A' ' 42' ' ' THR . 0.0 OUTLIER -60.94 -54.35 46.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.0 -60.72 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -37.82 -40.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.463 ' CA ' ' OD1' ' A' ' 52' ' ' ASN . . . -64.62 -73.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -45.59 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.464 ' HA ' HG11 ' A' ' 58' ' ' VAL . 11.9 p -41.39 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 152.85 -19.42 0.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.98 -22.14 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.746 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -109.36 -46.65 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.617 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -110.79 98.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 11.06 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -122.87 2.98 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.617 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -125.06 175.62 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.7 p30 175.2 113.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.601 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.6 OUTLIER -123.99 -41.1 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -22.58 -70.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' VAL . 5.0 m-20 -37.58 -57.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 57' ' ' LEU . 14.1 m -57.78 -55.91 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' THR . 8.5 mt -36.16 -43.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -85.01 50.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 60' ' ' THR . 26.7 t -112.15 -91.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -106.13 176.06 21.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.2 mt-30 -56.24 106.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.8 m-30 -110.56 -174.36 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.504 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 24.8 m -151.26 87.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.431 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 38.9 t -52.7 133.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.593 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.9 m-85 -125.11 66.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -95.02 131.81 29.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -138.347 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.749 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 114.41 4.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 19.8 p -58.47 179.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -73.94 -7.87 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -90.88 -22.84 20.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.447 ' HB3' ' N ' ' A' ' 157' ' ' SER . . . -75.85 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.749 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.3 m-85 -55.18 -43.36 74.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -48.73 -54.46 14.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' SER . 6.6 mtmt -37.26 -57.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -49.82 145.12 9.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.08 33.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.42 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -49.61 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -53.07 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.52 -57.28 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.91 -22.44 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 4.2 tp10 -80.18 -50.61 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . 4.7 mt -55.08 -26.46 37.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.486 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 22.9 mttt -78.73 1.77 21.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 p -141.48 12.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 26.7 m-20 -107.37 -163.02 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.462 ' O ' ' HB ' ' A' ' 95' ' ' THR . 5.3 p 173.83 -30.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -105.54 33.76 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.81 -44.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.552 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -77.32 -52.03 9.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 91' ' ' SER . 1.8 m -40.83 -44.11 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.443 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -54.24 -48.28 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 1.3 mt -57.5 -55.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.517 ' CD2' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -50.21 -61.5 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' CD2' ' A' ' 57' ' ' LEU . 2.2 p -49.87 -41.28 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.712 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.8 t80 -67.48 -17.85 64.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.709 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 26.8 m-70 -90.31 19.56 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.509 HG13 ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.77 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.593 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 56.0 t -103.06 152.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.17 95.88 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.63 100.39 0.33 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 133.23 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.913 ' HG1' ' NH2' ' A' ' 116' ' ' ARG . 17.5 m -152.63 147.16 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.4 p -78.69 164.5 55.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 49.07 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.14 21.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 112' ' ' VAL . 5.3 m120 -157.63 -52.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.46 -42.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 111' ' ' ASN . 3.0 t -39.76 159.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 113' ' ' VAL . . . 105.67 -136.65 13.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.8 m -126.93 99.11 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.913 ' NH2' ' HG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -92.46 -179.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -125.66 97.78 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.565 HG21 ' CD1' ' A' ' 100' ' ' TYR . 19.3 p -54.45 167.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.509 ' CD2' HG13 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -67.83 -25.37 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 30.9 tp60 -66.45 -11.95 54.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.5 -21.84 42.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.498 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -77.91 168.09 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -100.82 144.51 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.34 117.13 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -78.98 91.02 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.437 HG13 ' CG2' ' A' ' 135' ' ' VAL . 24.3 t -86.31 147.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.32 172.97 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 133' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 9.3 mttt -131.9 159.91 37.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.437 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.4 t -156.98 118.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 48.86 39.5 25.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.1 t30 89.14 -29.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 155' ' ' ILE . . . -61.1 174.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.6 m-20 -122.91 112.09 17.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.7 97.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.5 t -66.65 -52.35 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 17.9 t -150.94 105.24 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.85 165.01 12.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.05 17.66 62.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.514 ' CG1' HG23 ' A' ' 22' ' ' VAL . 2.1 t -88.22 53.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.3 m -44.57 122.95 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.527 ' CG2' ' SD ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -87.58 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -112.34 -74.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -120.99 34.79 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.497 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -167.53 147.85 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.582 HG23 ' CE2' ' A' ' 153' ' ' TYR . 20.6 m -85.12 176.76 8.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.474 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -141.51 126.23 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.582 ' CE2' HG23 ' A' ' 151' ' ' THR . 91.2 m-85 -136.39 88.39 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 141' ' ' VAL . 2.0 mtm -60.67 137.79 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.566 ' CD1' ' O ' ' A' ' 157' ' ' SER . 1.4 pp -135.26 161.35 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 13.5 p-10 -104.08 51.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.566 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 1.4 m -169.14 141.09 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.557 ' O ' ' C ' ' A' ' 159' ' ' LEU . 62.7 t -82.13 68.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 18.9 mt -27.27 140.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.712 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -133.04 141.52 41.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.443 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.498 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -141.03 9.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.456 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -128.59 151.3 18.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -169.307 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.98 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . -39.15 -58.31 1.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -36.24 -34.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -63.5 -64.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 4.0 tt0 -70.55 -54.46 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.6 t80 -39.65 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.62 -45.56 4.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -40.32 -32.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.85 -41.18 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -121.01 79.39 33.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -41.44 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' OG ' ' A' ' 21' ' ' SER . 77.3 p -124.79 -164.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.64 -174.93 50.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.33 20.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 36' ' ' ASN . . . -103.14 45.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.432 ' OG ' ' C ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -125.19 173.52 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 3.5 t -63.42 -44.25 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -87.95 -47.58 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.21 -51.84 7.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.529 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 7.4 ptp -57.04 -20.85 26.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 5.3 t -61.35 -38.89 88.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.0 -7.79 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.407 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 74.7 m-20 -104.63 145.14 30.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.55 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.94 98.03 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 31' ' ' ALA . 12.4 p 30.68 -122.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.24 -70.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.55 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 79.4 t -31.06 -63.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -30.64 -70.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' C ' HG23 ' A' ' 44' ' ' THR . . . -48.88 -45.61 41.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.583 ' N ' ' CG2' ' A' ' 44' ' ' THR . 4.7 m -51.78 -20.26 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.551 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 1.4 m-80 -138.99 28.76 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -85.13 133.17 43.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 129.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.634 ' C ' HD22 ' A' ' 40' ' ' LEU . 1.2 mt-10 -116.01 -18.59 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.881 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.16 -16.58 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -38.28 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 40' ' ' LEU . 4.3 m -72.93 -54.72 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' CD1' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -53.99 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.583 ' CG2' ' N ' ' A' ' 35' ' ' SER . 81.3 p -47.78 -60.56 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.52 -39.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -66.06 -69.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.56 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -51.47 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.36 -67.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.26 -18.62 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -46.16 -24.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -98.32 -53.62 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' ND2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -120.33 116.13 32.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 13.01 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.9 mt-30 -119.59 8.66 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 39.0 t -127.99 158.13 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -177.27 107.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 60' ' ' THR . 13.7 mt -116.6 -36.87 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.544 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.3 p -28.33 -72.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.86 -50.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.4 m -66.77 -55.8 13.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.66 -26.47 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' VAL . 38.8 t30 -91.09 49.4 1.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -177.28 104.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.1 138.67 8.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.1 mt-30 -62.14 101.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.4 m-30 -112.19 -175.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.512 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 14.9 m -143.48 86.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.614 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 61.7 t -52.34 134.61 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -125.42 68.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.554 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -102.13 124.9 38.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -139.387 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.774 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.562 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 76.8 p -56.39 -160.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.47 -25.9 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.99 -2.15 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -95.46 -48.72 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 51.1 m-85 -77.85 -36.78 49.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -55.96 -21.82 23.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 4.4 mtmt -66.14 -51.34 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 158' ' ' VAL . 51.9 mt -62.75 151.55 84.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.9 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.48 -33.53 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.96 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.97 -45.13 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.2 -45.63 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -23.28 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -79.45 -47.89 14.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 6.9 mt -59.49 -16.63 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 89' ' ' THR . 21.3 mtmt -88.9 15.19 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.44 32.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 97.2 m-20 -116.81 -73.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.49 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 29.5 t 67.22 11.06 8.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.5 p -133.74 -44.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.401 HD21 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -89.12 -22.86 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -85.49 -47.44 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.429 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 38.1 m -50.96 -34.67 29.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -62.84 -36.88 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 159' ' ' LEU . 4.0 mt -69.81 -57.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -43.97 -62.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' HD21 ' A' ' 119' ' ' LEU . 3.3 p -49.04 -49.69 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.644 ' CE2' ' O ' ' A' ' 160' ' ' MET . 30.3 t80 -62.41 -9.1 7.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.711 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 21.8 m-70 -101.17 25.16 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -157.85 120.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.585 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 73.0 t -102.06 139.79 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 116.38 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.22 86.01 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.3 OUTLIER -39.15 146.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 0.736 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.0 m -159.86 159.14 32.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -98.76 165.58 14.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.468 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.61 -46.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -99.26 -30.93 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -42.72 -33.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.415 ' N ' HG13 ' A' ' 112' ' ' VAL . 2.4 p -55.97 131.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.44 -170.6 13.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.4 m -71.14 110.09 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.55 125.1 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.481 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 29.4 tt0 -70.25 124.57 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.529 ' CG2' HG12 ' A' ' 124' ' ' VAL . 43.9 p -96.29 170.82 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.488 HD21 ' CG2' ' A' ' 99' ' ' THR . 0.3 OUTLIER -51.37 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -36.16 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 115.07 -23.83 11.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -63.21 -170.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 p -123.41 139.01 54.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.529 HG12 ' CG2' ' A' ' 118' ' ' THR . 11.0 p -114.35 106.17 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 m -74.37 79.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.469 ' C ' ' CG2' ' A' ' 127' ' ' THR . 21.4 t -67.26 154.63 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.469 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -153.52 179.11 9.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 133' ' ' LEU . 2.8 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -116.51 166.52 12.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 138' ' ' ALA . 2.1 t -155.79 123.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 38.65 45.71 2.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 17.2 t-20 88.91 -42.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.511 ' HB1' ' CD1' ' A' ' 159' ' ' LEU . . . -56.28 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 6.2 m-20 -123.06 173.76 7.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 74.3 t -114.23 95.09 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.478 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -63.78 -53.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.516 ' SG ' ' CG2' ' A' ' 145' ' ' VAL . 41.2 t -154.22 104.12 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.581 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.76 162.17 12.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.79 69.43 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.516 ' CG2' ' SG ' ' A' ' 142' ' ' CYS . 5.3 t -88.53 53.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 0.9 OUTLIER -37.48 112.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.0 OUTLIER -78.06 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.8 -84.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -111.06 39.66 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.479 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -175.83 151.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.569 HG23 ' CE2' ' A' ' 153' ' ' TYR . 7.2 m -80.01 177.69 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.487 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.6 t -142.22 123.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.581 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.9 m-85 -134.47 84.69 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.562 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 12.7 mtm -61.46 137.74 58.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 139' ' ' ASP . 7.2 pt -125.53 179.31 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.481 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 5.5 p-10 -115.76 27.42 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -158.46 138.43 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.701 ' CG2' ' O ' ' A' ' 158' ' ' VAL . 1.1 m -74.04 61.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 158' ' ' VAL . 1.2 tp -20.3 133.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.644 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.3 mtt -124.92 148.79 60.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.45 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 138.91 23.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -104.25 -5.66 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -114.91 149.93 18.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -159.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.99 -65.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.24 -37.09 4.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -38.76 40.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.82 -65.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -65.83 -49.76 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' ALA . 85.0 t80 -34.89 -60.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -36.63 -60.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . . . -39.77 -47.55 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.9 -52.33 51.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' ALA . 42.2 m-80 -121.14 79.01 34.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.97 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.2 p -119.6 -10.84 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.79 -178.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.15 3.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -66.89 -9.7 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -61.82 165.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG1' HG11 ' A' ' 145' ' ' VAL . 27.0 m -58.56 -38.85 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' SER . 2.5 tp60 -88.23 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.57 -20.35 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.501 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 18.5 ptp -102.21 -17.02 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' GLN . 74.0 m -62.96 -36.74 84.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.36 -10.73 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -104.8 145.97 31.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.644 ' O ' ' C ' ' A' ' 31' ' ' ALA . 2.3 p 27.86 -103.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.644 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -17.84 -78.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.62 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 71.0 t -34.52 -60.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -37.63 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 44' ' ' THR . . . -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -76.31 48.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 24.3 m-80 -170.15 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.51 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 15.9 m-80 -48.43 127.63 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 160.574 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 4.55 4.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.449 1.763 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' C ' HD21 ' A' ' 40' ' ' LEU . 2.2 mm-40 -119.92 -6.81 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 37' ' ' ASN . 7.5 mt -115.65 -32.51 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.1 p -34.24 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.4 m -69.06 -56.83 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.09 -51.81 68.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.609 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.1 p -47.56 -54.99 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' CA ' ' HB2' ' A' ' 50' ' ' GLN . . . -42.81 -38.62 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.77 -70.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -47.6 -61.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.516 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 88.5 p -42.24 -48.64 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 131.85 -22.15 4.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' HB2' ' CA ' ' A' ' 45' ' ' ALA . 5.5 mm-40 -38.36 -56.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -56.6 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -112.12 118.52 45.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 4.04 5.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.33 5.27 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 t -128.41 153.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -169.1 93.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.87 14.22 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 1.9 t -66.86 -33.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -81.63 -37.87 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 63' ' ' SER . 18.3 m -67.37 -62.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' THR . 6.8 mt -39.15 -48.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 29' ' ' PRO . 8.8 t-20 -81.74 51.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 60' ' ' THR . 14.4 t -108.79 -93.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.82 177.97 19.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -49.33 105.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.5 m-30 -112.7 -175.37 2.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.526 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 34.8 m -153.59 87.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.4 t -51.03 134.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE2' HG22 ' A' ' 103' ' ' VAL . 8.7 m-85 -125.83 65.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -96.91 129.53 32.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -137.548 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.692 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.05 117.24 4.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 39.9 p -60.76 170.05 1.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -61.38 -35.02 76.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.74 -28.53 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' CA ' ' A' ' 157' ' ' SER . . . -70.0 -46.38 65.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 28.5 m-85 -68.86 -42.59 76.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -49.18 -49.59 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.45 ' NZ ' ' HA ' ' A' ' 157' ' ' SER . 4.3 mtmp? -40.75 -65.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -42.71 146.96 0.67 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.99 -50.27 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 p -40.93 -51.3 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -49.7 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.53 -49.45 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.74 -21.5 41.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -48.96 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 87' ' ' LEU . 6.1 mt -56.12 -20.82 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -85.74 12.49 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.1 t -163.9 36.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 91' ' ' SER . 94.0 m-20 -114.71 -90.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 t 88.26 2.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 t -126.77 -46.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 tp -85.7 -25.25 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.69 -49.44 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -47.99 -42.77 28.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 14.1 m -60.06 -37.04 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.1 mt -66.88 -60.15 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -43.67 -62.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.546 ' OG1' ' CG ' ' A' ' 120' ' ' GLN . 79.1 p -48.18 -45.35 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CE2' ' O ' ' A' ' 160' ' ' MET . 47.4 t80 -69.09 -10.67 58.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.644 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 11.6 m-70 -100.4 17.54 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -156.1 117.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.524 HG22 ' CE2' ' A' ' 69' ' ' PHE . 71.5 t -94.18 148.94 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.56 101.61 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.38 -55.03 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.523 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 2.3 tt0 76.89 133.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 67.0 m -147.3 -91.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER 168.17 163.58 0.15 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.956 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.458 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -152.95 -44.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 20.7 m-20 -98.92 -37.38 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -41.15 -27.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 111' ' ' ASN . 10.0 p -59.69 138.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.67 170.38 20.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.59 103.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.489 ' CB ' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -104.7 -177.28 3.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.446 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 12.8 tt0 -126.33 128.8 47.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.167 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 120' ' ' GLN . 69.2 p -94.45 146.5 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -43.19 -28.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.546 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 1.5 tm0? -56.86 -55.7 31.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.19 -23.26 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.43 175.21 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.5 m -103.69 143.71 32.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.489 HG13 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -114.97 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 m -69.76 93.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.517 ' C ' ' CG2' ' A' ' 127' ' ' THR . 13.2 t -86.23 160.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.517 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.4 OUTLIER -155.87 165.6 35.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 180.0 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.435 ' HB3' ' HB ' ' A' ' 140' ' ' VAL . 7.0 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 156.22 27.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 137' ' ' ASN . 2.3 t -139.92 118.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 55.76 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.3 t30 -143.1 21.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -119.35 -179.63 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -125.14 118.71 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -54.68 121.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.449 HG23 ' CA ' ' A' ' 155' ' ' ILE . 2.4 t -94.36 -40.91 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.514 ' SG ' ' CG2' ' A' ' 145' ' ' VAL . 9.7 t -159.27 101.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.32 155.57 16.23 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.51 22.1 32.59 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.536 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 6.0 t -95.58 57.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 21.0 m -45.01 126.26 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.501 ' CG2' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -91.16 -97.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . . . -107.77 -72.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -125.64 30.07 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.487 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -160.3 149.15 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.615 HG22 ' CE2' ' A' ' 153' ' ' TYR . 41.9 m -85.87 176.22 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.536 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -136.79 126.61 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.615 ' CE2' HG22 ' A' ' 151' ' ' THR . 83.6 m-85 -138.29 87.12 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.32 147.5 53.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -136.47 178.48 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -118.78 45.36 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -170.47 141.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' A' ' 159' ' ' LEU . 41.3 t -75.52 68.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -33.61 127.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.659 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 8.5 mtt -123.33 149.47 58.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.426 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.94 120.87 6.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.402 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.467 ' CG2' HD11 ' A' ' 133' ' ' LEU . 10.0 p -148.28 156.53 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.69 156.59 23.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -160.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.0 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -41.51 -47.91 4.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -40.45 -35.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 6' ' ' PRO . . . -69.43 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' TYR . 1.4 mm-40 -46.08 -55.07 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLY . 60.0 t80 -37.18 -64.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.34 -47.79 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.95 -37.97 54.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.19 -44.1 20.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -127.3 78.48 74.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.7 p -137.67 -155.18 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.15 -175.3 51.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.35 20.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -92.22 38.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.4 p -118.12 165.66 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.508 ' CG1' HG12 ' A' ' 145' ' ' VAL . 21.7 m -64.32 -32.9 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -47.03 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.09 -19.72 5.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.522 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 18.4 ptp -101.3 -14.63 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -67.22 -22.03 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -84.14 -1.7 55.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 78.2 m-20 -112.33 147.99 38.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.5 Cg_endo -74.98 99.49 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.705 ' O ' ' C ' ' A' ' 31' ' ' ALA . 12.9 p 29.09 -121.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.4 -72.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.4 t -32.28 -61.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.61 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -41.28 -29.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.562 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -77.71 48.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.402 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 46.8 m-80 -166.22 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.426 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 4.4 m-20 -51.99 132.43 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 168.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.07 6.39 3.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.0 OUTLIER -124.13 -0.93 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.8 mt -120.22 -34.17 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -38.54 -36.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.699 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.5 t -67.44 -50.54 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -59.43 -55.35 35.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.483 ' HA ' ' CG ' ' A' ' 47' ' ' LEU . 59.0 m -45.74 -62.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -36.41 -40.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.17 -68.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CG ' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -53.91 -61.86 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.443 ' HA ' HG12 ' A' ' 58' ' ' VAL . 14.7 p -40.47 -67.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.31 -19.94 0.94 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.9 mt-30 -45.42 -24.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 0.768 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -98.54 -52.06 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -121.62 116.54 30.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 10.74 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.0 mt-30 -119.24 13.57 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 56' ' ' ASN . 2.6 t -141.76 137.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -157.68 83.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 60' ' ' THR . 4.0 mp -87.18 -32.68 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.527 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.0 p -29.6 -64.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.6 -53.95 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 23.9 m -61.31 -54.74 40.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.45 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.99 -24.01 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -94.38 50.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.87 108.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.15 133.01 7.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.4 mt-30 -54.23 105.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 12.1 m-30 -111.94 -173.28 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.465 ' CG2' ' HE1' ' A' ' 153' ' ' TYR . 22.5 m -149.38 85.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 66.2 t -51.64 132.21 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.8 m-85 -122.37 71.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -96.98 132.19 26.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -138.617 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.784 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.97 122.97 7.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 155' ' ' ILE . 17.2 p -69.79 170.12 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -13.23 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.78 -22.11 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . . . -77.02 -61.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.784 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 61.9 m-85 -54.97 -27.12 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 1.2 m -62.51 -52.93 61.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HE2' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmm -37.06 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -36.49 148.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.04 33.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.57 1.827 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.07 -41.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -57.02 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.57 -47.2 19.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.1 -46.34 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -20.52 40.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 89' ' ' THR . 14.2 tp10 -82.65 -51.72 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.475 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.4 mt -54.8 -19.11 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -84.44 7.32 20.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' GLU . 10.6 t -147.53 15.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 4.0 m-20 -118.48 162.72 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 p -154.71 22.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.77 -47.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -27.26 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.48 -43.91 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.0 m -51.09 -52.0 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -45.45 -45.2 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 98' ' ' LEU . 1.1 mt -60.38 -56.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -50.96 -60.25 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 95' ' ' THR . 0.9 OUTLIER -50.63 -44.75 57.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.701 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.0 t80 -66.77 -12.95 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.607 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 40.8 m-70 -95.39 23.7 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.482 HG13 ' CD2' ' A' ' 119' ' ' LEU . 1.1 p -163.72 116.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.61 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 74.3 t -94.86 146.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 104.67 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 127.44 110.98 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.9 tt0 -67.44 131.52 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.1 m -150.78 130.2 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 p -63.72 166.85 8.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.437 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 50.79 2.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.06 -45.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.409 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 23.2 m120 -96.63 -26.91 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.9 -24.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 114' ' ' GLY . 93.8 t -65.88 139.87 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 113' ' ' VAL . . . 115.88 -166.68 12.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.8 m -83.99 99.01 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.481 ' CB ' HG11 ' A' ' 124' ' ' VAL . 0.5 OUTLIER -94.01 177.6 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -133.4 115.61 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.601 HG21 ' CD1' ' A' ' 100' ' ' TYR . 49.3 p -75.44 163.78 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.482 ' CD2' HG13 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -65.18 -27.23 68.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 33.6 tp60 -59.38 -20.08 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 105.63 -12.57 46.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -85.32 176.93 8.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 p -109.64 138.62 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.481 HG11 ' CB ' ' A' ' 116' ' ' ARG . 2.6 p -112.66 108.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -75.59 98.37 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.451 HG13 ' CG2' ' A' ' 135' ' ' VAL . 3.6 t -94.37 150.13 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -146.63 169.52 18.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.955 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 4' ' ' VAL . 7.3 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' CE ' ' O ' ' A' ' 138' ' ' ALA . 1.2 mtpt -119.09 159.12 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 69' ' ' PHE . 5.8 t -143.41 112.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.61 -80.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -150.03 21.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.526 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -118.21 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -113.4 118.21 33.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 84.1 t -59.93 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.4 t -69.14 -57.23 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 9.9 t -144.69 105.25 4.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.56 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.81 159.57 13.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.24 14.62 57.14 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.508 HG12 ' CG1' ' A' ' 22' ' ' VAL . 1.7 t -82.19 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.8 m -47.23 112.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.534 HG22 ' CB ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -81.48 -96.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -114.49 -85.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -109.81 37.94 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.473 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -174.85 150.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.584 HG21 ' CE1' ' A' ' 153' ' ' TYR . 18.5 m -88.05 179.87 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.4 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.4 t -145.91 125.97 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.584 ' CE1' HG21 ' A' ' 151' ' ' THR . 89.0 m-85 -133.78 90.61 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -60.43 133.68 56.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.614 ' CD1' ' O ' ' A' ' 157' ' ' SER . 1.0 OUTLIER -129.99 164.24 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' A' ' 157' ' ' SER . 20.5 p-10 -102.92 47.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.614 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -172.9 146.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 160' ' ' MET . 72.6 t -73.2 12.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 157' ' ' SER . 11.5 mt 50.45 -83.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.701 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.8 mtt 79.27 136.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.02 128.34 11.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.999 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.27 141.72 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.83 155.38 17.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 175.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -38.86 -34.65 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -41.55 -50.36 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -71.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.32 -52.18 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 12' ' ' ALA . 12.1 t80 -54.3 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -47.3 -47.32 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -26.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.72 -31.22 12.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 4.5 m-80 -134.69 71.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' GLY . 12.8 p -115.98 -13.99 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -49.88 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 15' ' ' ASN . . . -87.18 49.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.481 ' O ' ' CE ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -124.04 -176.96 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.484 ' CG2' HG12 ' A' ' 145' ' ' VAL . 7.7 t -64.86 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.71 -34.3 15.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.83 -8.65 42.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 21' ' ' SER . 21.4 ptp -112.07 -30.69 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.458 ' HA ' ' C ' ' A' ' 147' ' ' THR . 41.1 t -50.8 -48.21 59.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -52.7 -18.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.67 152.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.638 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.06 99.25 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.591 ' CG1' ' H ' ' A' ' 31' ' ' ALA . 2.3 p 25.09 -94.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.591 ' H ' ' CG1' ' A' ' 30' ' ' VAL . . . -24.34 -85.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.638 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 55.9 t -35.4 -49.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 30' ' ' VAL . . . -41.41 -50.7 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -65.99 -31.04 71.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.4 t -57.21 -14.41 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -88.9 -38.34 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.5 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -64.16 134.24 95.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -167.247 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 7.92 2.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.8 mm-40 -123.87 -8.94 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 9.4 mt -116.91 -11.21 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -37.84 -50.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.451 HG23 ' CG ' ' A' ' 76' ' ' PHE . 2.4 m -64.82 -42.83 94.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.19 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.2 m -45.04 -57.51 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -40.43 -41.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -70.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.597 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -48.48 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.549 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 8.6 t -43.67 -70.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 155.71 -21.95 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -42.74 -26.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -106.32 -47.28 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.498 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.73 90.43 18.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 15.09 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.9 mt-30 -119.52 10.67 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 5.8 p -158.69 153.87 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.494 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -154.44 112.36 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.629 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.34 -30.94 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 43.2 t -34.62 -63.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' VAL . 63.5 m-20 -37.08 -44.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.2 m -76.71 -56.34 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 60' ' ' THR . 3.9 mt -35.43 -38.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' THR . 44.9 t30 -91.87 52.83 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.4 m -112.66 -91.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -177.41 24.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 5.1 mt-30 -60.76 106.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.7 m-30 -111.22 -173.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.505 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 30.8 m -151.81 89.89 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.482 ' CG2' HG23 ' A' ' 30' ' ' VAL . 6.2 t -53.23 135.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.64 ' CE2' HG23 ' A' ' 103' ' ' VAL . 10.2 m-85 -125.42 69.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -99.73 130.54 26.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -137.319 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.779 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.04 125.75 9.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 26.7 p -67.89 174.5 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -14.82 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.61 -21.95 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' HB3' ' CA ' ' A' ' 157' ' ' SER . . . -74.35 -42.13 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.779 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 35.7 m-85 -72.48 -39.19 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -56.25 -42.73 77.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -44.57 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mt -40.09 151.66 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.94 140.73 25.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.1 -44.4 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.5 p -45.08 -43.29 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.94 -51.52 54.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.6 mm -57.52 -55.9 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -24.65 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.53 -40.95 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.3 mt -65.6 -19.18 65.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -90.68 34.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' ASN . 9.8 t -173.72 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.448 ' ND2' HD21 ' A' ' 87' ' ' LEU . 92.1 m-20 -39.92 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER 82.02 -7.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 p -127.09 16.22 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.63 -43.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -59.7 -41.37 90.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.418 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.1 -37.33 21.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 1.5 m -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.444 HD11 ' CE ' ' A' ' 160' ' ' MET . 2.3 mt -69.95 -52.61 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 102' ' ' VAL . 1.5 mt -49.61 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 95' ' ' THR . 26.4 p -46.49 -48.34 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.754 ' CE2' ' O ' ' A' ' 160' ' ' MET . 27.1 t80 -60.7 -18.25 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 32.3 m-70 -92.71 20.97 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -159.03 127.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.64 HG23 ' CE2' ' A' ' 69' ' ' PHE . 34.8 t -106.33 158.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.95 95.51 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.07 96.56 0.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 123.42 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.427 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 10.8 m -135.24 145.8 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.596 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 51.5 p -80.42 160.37 67.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 45.88 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.32 18.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 113' ' ' VAL . 11.4 m120 -151.9 -51.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -31.31 -37.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 111' ' ' ASN . 52.1 t -49.01 124.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 129.83 177.83 15.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.2 m -68.35 81.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.348 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.468 ' CB ' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -83.23 -178.6 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 103' ' ' VAL . 13.9 tt0 -135.57 117.95 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 14.5 p -88.88 169.11 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 121' ' ' GLY . 14.0 mt -50.09 -54.46 20.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 104.5 -17.02 47.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.68 143.79 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 m -76.5 129.68 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 116' ' ' ARG . 2.6 p -103.93 100.35 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.2 m -69.26 92.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.472 ' C ' ' CG2' ' A' ' 127' ' ' THR . 18.4 t -87.15 153.83 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.472 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 1.2 p -151.85 177.67 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 179.955 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 7.5 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.401 ' HB2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -129.95 155.43 46.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 137' ' ' ASN . 6.5 t -143.39 115.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.98 -81.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 135' ' ' VAL . 3.6 t30 -146.21 19.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -117.39 -179.41 3.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.92 117.47 24.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 43.9 t -55.61 119.06 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.405 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -87.89 -46.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.4 t -155.42 103.57 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.22 160.72 13.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.41 18.97 54.19 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.7 t -90.54 56.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 48.4 m -44.71 133.45 5.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 0.9 OUTLIER -99.15 -104.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -103.75 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -132.51 42.03 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.487 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -174.14 149.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.605 HG21 ' CE2' ' A' ' 153' ' ' TYR . 95.9 m -87.31 174.52 8.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -136.99 128.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.605 ' CE2' HG21 ' A' ' 151' ' ' THR . 79.8 m-85 -137.47 88.22 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.462 ' O ' ' HA ' ' A' ' 140' ' ' VAL . 3.9 mtm -60.5 150.11 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' A' ' 72' ' ' THR . 0.9 OUTLIER -142.46 178.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.43 35.12 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -160.79 147.15 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' ' N ' ' A' ' 160' ' ' MET . 85.7 t -75.47 16.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.608 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.3 OUTLIER 47.07 -81.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.754 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.7 mtp 77.07 139.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.958 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 8.6 p -141.92 175.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.6 151.25 9.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.582 1.176 . . . . 0.0 111.036 169.308 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -41.52 -46.24 4.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -39.88 -30.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -75.41 -73.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.31 -57.57 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 74.2 t80 -41.19 -63.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.59 -51.76 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.04 -46.77 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.6 -50.31 32.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -117.26 82.01 14.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.9 p -131.45 159.41 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.482 ' N ' ' HG ' ' A' ' 21' ' ' SER . . . 122.25 -178.1 16.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.96 21.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -84.45 -32.95 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.482 ' HG ' ' N ' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -48.48 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.49 ' HB ' ' CG1' ' A' ' 145' ' ' VAL . 8.4 m -90.44 36.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -150.7 -61.15 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.15 -31.63 11.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.577 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.7 ptp -66.25 -10.1 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 4.4 t -68.99 -38.67 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -69.64 -5.22 23.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 58.5 m-20 -103.89 146.77 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 96.87 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.695 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.3 p 30.55 -118.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -10.04 -71.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 63.5 t -30.69 -63.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -31.15 -64.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 40' ' ' LEU . . . -49.84 -49.44 49.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -51.44 -30.88 21.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.045 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 8.2 m-80 -82.49 -29.01 30.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.574 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.67 127.73 91.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 172.796 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.511 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 10.83 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.668 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.51 -18.99 7.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.89 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.27 -9.44 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 82.6 p -36.69 -40.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -69.4 -49.78 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -46.67 -64.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -47.94 -61.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.33 -42.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.02 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -60.5 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.569 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -35.0 -56.64 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.51 -20.4 3.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.39 -23.32 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -108.56 -49.59 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.513 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -113.79 91.28 21.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.03 15.37 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.7 mt-30 -117.98 4.92 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 6.3 p -153.01 150.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.9 p30 -150.19 121.14 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -125.14 4.82 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 6.6 t -74.19 -32.81 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -87.12 -7.58 57.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 m -101.44 -40.59 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 57' ' ' LEU . 16.9 mt -69.23 -20.48 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 62' ' ' ASN . 31.3 p-10 -90.4 42.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -164.15 108.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.12 147.99 21.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -67.32 102.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.448 ' HB2' ' CB ' ' A' ' 150' ' ' ALA . 14.1 m-30 -113.25 -176.23 2.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.558 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 21.4 m -145.91 87.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.625 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 18.5 t -51.08 134.91 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 103' ' ' VAL . 10.6 m-85 -124.81 63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -95.99 129.46 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -138.504 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.722 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.0 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.556 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 77.1 p -55.47 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.96 -28.6 39.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.29 -10.03 59.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.48 -75.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 71.3 m-85 -47.08 -25.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.6 t -68.18 -49.33 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -46.38 -50.69 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' CG2' ' A' ' 158' ' ' VAL . 32.1 mt -59.67 150.02 68.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.76 39.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.6 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.8 p -47.72 -47.33 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -46.36 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.2 mm -63.61 -47.63 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -16.85 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.76 -46.34 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 87' ' ' LEU . 6.6 mt -61.72 -20.43 63.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -86.41 12.31 10.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 t -162.2 36.37 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 91' ' ' SER . 88.0 m-20 -114.13 -91.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.9 OUTLIER 82.35 -11.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -116.45 -12.46 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.94 -41.54 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -66.08 -40.5 90.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 96' ' ' SER . 12.1 t -45.15 -52.2 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -49.53 -44.09 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG23 ' CD2' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.0 -64.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.496 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.5 mt -44.77 -61.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.583 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 21.8 p -51.57 -47.97 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.643 ' CE2' ' O ' ' A' ' 160' ' ' MET . 53.4 t80 -60.77 -17.6 50.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.71 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 15.7 m-70 -92.86 24.47 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.457 ' CG2' HD21 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -158.87 126.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 69' ' ' PHE . 3.7 t -102.71 164.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.519 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -123.67 109.71 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 157.65 -42.41 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.473 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 76.6 116.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.966 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 4.8 m -154.08 134.68 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.425 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.3 p -60.86 169.29 2.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.31 -10.31 28.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 4.0 m120 -124.99 -42.6 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.459 HG12 ' CG1' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -38.65 -31.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.7 t -47.96 137.34 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.22 -171.19 24.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 m -70.56 127.73 33.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.43 ' NH2' ' HB3' ' A' ' 117' ' ' GLN . 2.9 tpm_? -128.83 133.2 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.43 ' HB3' ' NH2' ' A' ' 116' ' ' ARG . 56.4 tt0 -75.4 118.45 18.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.533 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 22.8 p -77.95 161.71 27.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.6 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -65.1 -25.7 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.558 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 27.3 tp60 -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.92 5.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.51 -179.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 p -115.53 149.29 38.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.479 HG23 ' CD2' ' A' ' 159' ' ' LEU . 3.1 p -123.11 127.6 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.7 m -84.84 98.15 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.459 ' CG1' HG12 ' A' ' 112' ' ' VAL . 10.0 t -92.59 163.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.54 169.99 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.442 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 5.7 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.7 157.06 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' ALA . 2.2 t -154.25 123.97 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 40.0 42.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.4 t-20 89.06 -40.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -51.54 173.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -118.64 117.33 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.02 99.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.472 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.77 -56.92 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.4 t -153.04 108.03 3.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.11 171.11 13.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.04 77.41 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 22' ' ' VAL . 2.0 t -88.34 58.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 35.0 m -41.72 111.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 0.6 OUTLIER -81.39 -98.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -110.04 -89.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -106.54 38.53 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.506 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -176.92 152.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.606 HG23 ' CE2' ' A' ' 153' ' ' TYR . 90.9 m -84.49 174.11 10.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.402 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.4 t -134.82 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.606 ' CE2' HG23 ' A' ' 151' ' ' THR . 74.1 m-85 -136.35 84.99 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.556 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 14.1 mtm -64.32 139.24 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 101' ' ' HIS . 6.1 pt -127.51 179.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.53 39.02 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.45 143.24 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' A' ' 159' ' ' LEU . 41.2 t -77.39 65.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -31.03 143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.643 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -134.27 147.86 65.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.23 13.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.963 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 3.0 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' A' ' 109' ' ' PRO . 2.7 p -130.25 148.96 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.81 151.82 27.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -167.062 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.98 -66.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.461 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -36.47 -36.0 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -39.92 -30.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -90.31 -65.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.26 -45.86 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 37' ' ' ASN . 63.7 t80 -53.82 -64.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -42.1 -47.56 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.71 -29.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -96.73 -38.86 9.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' ALA . 12.8 m-80 -126.21 84.76 61.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -33.94 4.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 p -137.23 -165.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 -174.95 49.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -96.12 46.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.0 p -127.22 -171.65 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' CG1' HG13 ' A' ' 145' ' ' VAL . 24.7 t -79.16 -40.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -34.01 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.47 -48.32 85.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.535 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 13.2 ptp -62.03 -12.49 19.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -65.47 -50.16 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.23 -15.05 5.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 70.7 m-20 -94.99 142.58 24.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.95 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.705 ' O ' ' C ' ' A' ' 31' ' ' ALA . 9.0 p 31.8 -121.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.9 -70.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 35' ' ' SER . 76.5 t -30.65 -63.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.13 -57.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' CD2' ' A' ' 43' ' ' LEU . . . -59.97 -51.48 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.576 ' CB ' HG21 ' A' ' 44' ' ' THR . 43.0 t -41.15 -27.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.0 m-80 -138.79 35.28 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -85.83 134.73 38.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 128.82 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 6.95 3.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.684 ' C ' HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.19 -19.13 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.915 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -107.51 -11.39 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -40.0 -36.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.669 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 10.5 t -70.61 -46.99 62.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -54.4 -56.99 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.576 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -48.75 -59.48 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -38.83 -39.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -65.42 -69.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -51.08 -62.66 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -39.49 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 151.16 -20.31 0.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.2 mt-30 -38.8 -48.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.67 52.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -132.76 121.85 17.35 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 28.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -129.42 3.92 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 11.4 t -125.17 146.56 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.5 p30 -164.05 102.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' THR . 12.8 mt -114.13 -34.22 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 p -33.59 -63.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' H ' ' CG1' ' A' ' 58' ' ' VAL . 7.3 m-20 -40.88 -51.44 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.3 m -63.15 -60.7 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' THR . 11.5 mt -33.4 -48.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.6 OUTLIER -81.13 52.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' THR . 37.3 m -118.67 -92.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.58 170.9 23.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.7 mt-30 -54.1 108.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' HB2' ' CB ' ' A' ' 150' ' ' ALA . 6.9 m-30 -113.62 -175.26 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.56 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 26.3 m -147.16 86.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.581 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 12.9 t -50.82 137.72 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 103' ' ' VAL . 7.9 m-85 -131.34 59.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . . . -94.08 134.03 26.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -137.639 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.74 ' HD3' ' ND1' ' A' ' 101' ' ' HIS . 18.2 Cg_endo -74.99 103.46 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.592 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 45.9 p -56.26 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 2.2 p30 -72.26 -50.22 28.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.57 41.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.56 -45.55 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.74 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 32.9 m-85 -82.63 -40.64 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -56.31 -31.0 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 25.8 mtpt -58.07 -48.5 79.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD12 ' CG2' ' A' ' 158' ' ' VAL . 58.2 mt -62.05 149.82 85.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.12 28.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.68 -44.43 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 p -46.1 -48.33 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.411 ' CG2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.89 -49.72 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.34 -37.55 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -21.24 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 90' ' ' ASN . 4.4 tp10 -82.16 -41.55 20.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -63.02 -13.28 33.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.425 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 17.3 mttt -93.69 11.19 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.9 t -145.02 15.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 9.3 m-20 -116.64 -155.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.464 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.3 t 168.56 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.8 -23.56 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -92.31 -48.26 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -63.68 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 91' ' ' SER . 2.3 m -54.03 -50.56 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.5 m -48.9 -40.46 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -62.35 -58.29 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.57 -56.32 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.525 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 1.5 p -48.87 -50.35 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.452 ' HD1' ' CG2' ' A' ' 118' ' ' THR . 1.2 t80 -60.67 -17.01 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.74 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.6 m-70 -91.92 25.81 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -162.6 132.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 69' ' ' PHE . 43.1 t -114.42 128.2 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.23 113.42 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 154.78 -44.2 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.56 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.4 OUTLIER 78.63 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.414 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 29.3 m -157.79 130.39 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 p -60.52 167.12 3.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' CG ' HG13 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.01 50.06 2.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.56 -46.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -97.35 -24.31 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.77 -21.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 114' ' ' GLY . 14.6 p -69.95 150.55 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.418 ' N ' HG21 ' A' ' 113' ' ' VAL . . . 106.43 -147.42 16.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.1 m -94.28 86.36 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.372 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.503 ' CB ' HG22 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -82.75 169.61 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 26.3 tt0 -129.6 126.65 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.504 HG21 ' CG2' ' A' ' 103' ' ' VAL . 58.0 p -93.39 166.22 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.48 ' CD1' HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -63.61 -27.66 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.7 tp60 -66.28 -26.56 67.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.62 -51.96 0.71 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -48.21 153.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.412 ' O ' ' OH ' ' A' ' 100' ' ' TYR . 3.1 m -90.12 148.46 22.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 118' ' ' THR . 0.1 OUTLIER -110.14 96.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 m -65.81 76.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.474 HG23 ' CG2' ' A' ' 135' ' ' VAL . 26.0 t -75.09 147.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.2 m -146.5 176.77 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.975 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 140' ' ' VAL . 6.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -130.42 165.94 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -163.84 115.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.36 40.47 30.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 86.68 -22.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.456 ' HA ' ' OG ' ' A' ' 157' ' ' SER . . . -72.14 169.89 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.439 ' N ' ' HD2' ' A' ' 139' ' ' ASP . 2.5 m-20 -118.51 121.29 39.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 133' ' ' LEU . 95.0 t -60.62 87.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.5 t -55.16 -56.62 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 145' ' ' VAL . 36.2 t -148.62 103.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 108.332 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.539 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.76 167.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.01 24.58 63.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.5 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 4.3 t -98.51 51.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.5 m -36.84 115.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.497 ' CG2' ' CG2' ' A' ' 152' ' ' VAL . 1.2 p -79.79 -100.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -103.27 -78.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -122.72 44.2 2.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 66' ' ' TYR . . . -177.14 135.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.577 HG21 ' CE2' ' A' ' 153' ' ' TYR . 6.8 m -63.16 175.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.5 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 2.1 t -139.85 124.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.577 ' CE2' HG21 ' A' ' 151' ' ' THR . 89.9 m-85 -137.13 88.32 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.592 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 16.2 mtm -70.61 114.47 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 1.2 pp -105.76 173.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' A' ' 157' ' ' SER . 34.6 p-10 -115.52 51.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 157' ' ' SER . . . . . 0.466 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.4 m -170.58 132.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 159' ' ' LEU . 72.3 t -74.02 70.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.521 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 34.2 mt -34.58 125.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 158' ' ' VAL . 2.9 mtp -122.05 140.52 32.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 161' ' ' PRO . . . . . 0.556 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.32 11.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 162' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -136.27 153.27 51.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -80.89 -173.7 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.46 HG23 ' CB ' ' A' ' 109' ' ' PRO . 16.6 m -124.18 142.44 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.22 154.4 11.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -47.76 -46.64 24.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.39 -30.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -68.23 -73.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' TYR . 2.3 mm-40 -54.14 -45.61 72.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 43.9 t80 -35.87 -65.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.92 -53.31 10.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.41 -39.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.09 -48.28 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -126.83 79.29 72.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.99 -31.86 5.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.422 ' C ' ' OG ' ' A' ' 21' ' ' SER . 71.9 p -137.02 176.3 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 105.17 -173.04 20.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HB2' ' CG ' ' A' ' 36' ' ' ASN . 18.4 Cg_endo -75.01 -18.64 18.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -90.05 23.34 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.422 ' OG ' ' C ' ' A' ' 17' ' ' THR . 0.7 OUTLIER -106.82 171.93 7.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.471 ' CG1' HG11 ' A' ' 145' ' ' VAL . 2.8 m -68.65 -31.53 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -87.34 -39.48 15.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.9 73.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.454 ' CE ' HG12 ' A' ' 145' ' ' VAL . 22.5 ptp -66.52 -10.19 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' C ' ' A' ' 147' ' ' THR . 5.3 t -75.49 -53.53 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.64 -16.93 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 88.2 m-20 -111.19 160.39 29.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.96 154.27 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 3.1 p -30.7 -44.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -55.98 -97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.9 t -38.78 -33.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.503 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -54.05 -50.73 66.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.33 -8.66 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.475 ' CB ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.7 26.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 31.3 m-80 -136.49 -39.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -45.08 129.58 5.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 172.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 6.1 3.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.64 -2.18 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 22.8 mt -114.02 -33.23 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 23.2 p -34.58 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.59 -55.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.544 ' N ' ' CG2' ' A' ' 42' ' ' THR . 0.0 OUTLIER -59.18 -52.75 64.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.608 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 60.3 m -47.7 -56.72 6.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.48 -38.36 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -71.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.608 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -45.76 -61.95 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.517 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 11.4 p -43.41 -63.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 147.61 -24.36 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 49' ' ' GLY . 2.6 mt-30 -36.95 -44.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -51.93 9.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.11 110.28 43.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 17.54 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.27 8.6 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 56' ' ' ASN . 2.2 t -132.2 160.17 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 4.7 p30 -169.73 110.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.09 8.48 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.517 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 3.5 t -66.84 -39.63 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.91 -45.53 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . 20.3 m -64.31 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' HA ' ' CD2' ' A' ' 66' ' ' TYR . 5.0 mt -38.99 -43.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -85.46 52.52 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 t -163.16 110.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 82.01 140.07 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.7 mt-30 -50.46 109.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 0.725 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 5.8 m-30 -112.97 -175.53 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.596 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 86.8 m -152.16 87.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 11.4 t -51.79 140.07 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 103' ' ' VAL . 10.7 m-85 -131.25 67.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -97.7 130.1 29.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -138.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.717 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.99 108.68 2.77 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 54.9 p -53.5 175.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.0 -11.95 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.69 -19.1 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.717 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 55.8 m-85 -63.17 -47.74 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -44.42 -54.57 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.951 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 4.6 mtmp? -40.37 -46.39 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.5 149.21 84.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 155.64 43.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.64 -53.3 56.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 p -39.68 -44.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -51.37 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.14 -51.08 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -21.04 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' C ' ' ND2' ' A' ' 90' ' ' ASN . 8.0 tp10 -81.74 -44.49 16.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.9 mt -66.19 -8.71 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -90.57 25.06 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -160.87 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.452 ' ND2' HD21 ' A' ' 87' ' ' LEU . 6.3 m-20 -55.79 168.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 p -159.48 26.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.86 -44.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -26.96 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.74 -46.59 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.6 t -55.13 -45.68 75.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.441 ' C ' ' HG3' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -50.35 -39.72 47.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.14 -57.41 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -48.93 -61.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.427 ' HB ' ' CA ' ' A' ' 120' ' ' GLN . 2.6 p -46.22 -48.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.1 t80 -61.43 -21.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.692 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.4 m-70 -89.42 24.39 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.49 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 2.3 t -153.32 149.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.599 HG22 ' CE2' ' A' ' 69' ' ' PHE . 92.6 t -134.17 131.16 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.08 109.71 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 161.8 -49.2 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.596 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.5 OUTLIER 77.58 120.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.0 m -157.26 128.4 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -52.88 165.77 0.54 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.46 ' CB ' HG23 ' A' ' 4' ' ' VAL . 18.1 Cg_endo -75.05 52.42 3.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 -45.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 113' ' ' VAL . 5.4 m-20 -98.67 -29.97 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -40.8 -29.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 111' ' ' ASN . 11.1 p -60.37 143.83 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.95 178.5 23.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.4 m -71.48 101.79 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 -170.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.529 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 15.5 tt0 -129.85 131.4 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 120' ' ' GLN . 71.7 p -97.21 145.34 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.49 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -39.69 -30.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.445 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -55.51 -59.6 4.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.3 -24.62 1.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.16 174.36 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.3 m -100.4 142.64 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.5 p -112.88 104.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -68.59 96.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 135' ' ' VAL . 17.5 t -91.54 153.39 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.9 m -146.58 175.79 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.52 162.28 10.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -136.16 -75.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -125.31 -82.91 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -91.96 40.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 t -164.37 136.67 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 140' ' ' VAL . 6.1 mt -150.64 126.05 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -123.31 164.4 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.5 ' CG1' HD12 ' A' ' 159' ' ' LEU . 2.2 t -156.28 121.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 50.16 38.84 33.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.3 t-20 84.25 -14.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -74.87 -178.79 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -124.87 109.38 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 46.6 t -55.5 98.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 72' ' ' THR . 2.9 t -63.06 -60.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.69 106.19 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.0 161.97 12.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.04 24.46 44.59 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.471 HG11 ' CG1' ' A' ' 22' ' ' VAL . 1.4 t -96.21 65.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 13.1 m -53.7 127.65 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 7.2 p -87.63 -105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.2 -44.24 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -150.98 38.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.554 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -172.13 141.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.6 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 26.2 m -83.07 170.91 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.433 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -136.03 131.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.6 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 88.6 m-85 -140.51 87.42 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -64.22 146.88 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.552 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -135.78 -179.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -121.33 36.97 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.48 134.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' A' ' 159' ' ' LEU . 70.7 t -75.17 72.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.551 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 22.9 mt -33.24 148.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.724 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.9 mtp -139.61 144.37 39.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.441 ' HG3' ' C ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 65.54 6.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.62 169.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.56 -178.31 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.37 141.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.21 160.3 11.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.31 -30.72 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.5 -28.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.73 -70.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -43.78 -47.85 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' ALA . 71.5 t80 -43.44 -63.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.06 -52.62 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.67 -35.31 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.95 -42.63 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -130.72 78.25 74.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -30.68 6.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.7 p -129.5 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.21 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.37 20.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -91.53 14.71 14.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 61.2 p -93.06 165.47 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 145' ' ' VAL . 18.9 m -62.83 -31.04 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -98.26 -48.59 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -52.06 -21.81 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.464 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 16.2 ptp -91.68 -17.09 26.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -61.66 -36.56 81.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.84 -12.35 61.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 m-20 -97.85 144.13 27.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.691 ' O ' ' C ' ' A' ' 31' ' ' ALA . 3.3 p 28.65 -109.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.691 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -11.45 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.507 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 78.9 t -40.81 -66.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.618 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -31.89 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -64.91 -58.39 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 32' ' ' VAL . 7.5 t -44.65 -26.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' ALA . 16.6 m120 -80.11 -49.34 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' O ' ' CG2' ' A' ' 41' ' ' THR . 5.0 t-20 -52.72 130.38 46.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 3.48 5.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 2.5 mm-40 -121.39 -3.84 9.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.501 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 17.1 mt -116.64 -32.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 2.2 p -32.64 -39.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.7 m -63.37 -58.41 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.12 -43.2 87.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.553 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 90.4 m -48.45 -58.7 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -40.16 -35.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 55' ' ' VAL . . . -68.29 -71.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.32 -62.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.256 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.557 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 23.6 p -43.56 -53.11 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 132.91 -21.18 4.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLY . 21.7 mt-30 -37.79 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -82.32 -53.06 6.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.536 HD22 ' N ' ' A' ' 89' ' ' THR . 0.5 OUTLIER -119.1 129.42 25.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.79 -5.34 10.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 52' ' ' ASN . 5.5 m -111.66 137.6 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 48' ' ' SER . 8.1 p30 -159.61 119.23 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 17.5 mt -128.17 14.08 6.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.557 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.5 t -67.74 -59.14 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 -39.2 89.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 m -64.12 -69.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.513 ' CD2' HG23 ' A' ' 102' ' ' VAL . 5.6 mt -37.98 -38.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 9.8 t-20 -85.89 51.04 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.519 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -166.26 109.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 152.9 26.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -69.64 108.59 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CZ ' ' O ' ' A' ' 63' ' ' SER . 14.2 m-30 -113.8 -173.25 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.513 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 35.9 m -151.54 87.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.438 ' CG1' ' HB1' ' A' ' 70' ' ' ALA . 58.9 t -51.53 134.7 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CE2' HG23 ' A' ' 103' ' ' VAL . 10.0 m-85 -125.43 67.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -96.1 127.24 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -139.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.824 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.5 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 35.9 p -62.57 -179.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.454 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 1.1 m-80 -66.77 -38.14 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.45 -9.47 58.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' HB3' ' N ' ' A' ' 157' ' ' SER . . . -80.17 -47.98 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.824 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 53.5 m-85 -77.97 -45.94 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -48.43 -23.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 5.5 mtmt -63.37 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 158' ' ' VAL . 22.6 mt -79.68 147.95 68.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -75.03 140.0 24.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.45 -30.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' PRO . 48.0 p -56.76 -55.29 36.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -45.77 84.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 86' ' ' GLU . 29.2 mm -62.19 -56.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.57 -26.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' THR . 5.1 tp10 -78.7 -50.31 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.507 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 5.7 mt -54.96 -19.31 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.483 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 15.0 mttt -86.46 7.03 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.536 ' N ' HD22 ' A' ' 52' ' ' ASN . 1.8 t -141.66 10.17 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.507 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -118.82 153.73 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -144.91 23.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.35 -45.62 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -30.38 41.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.483 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -81.36 -43.04 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -54.14 -43.82 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.583 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.3 m -53.57 -39.59 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 100' ' ' TYR . 2.4 mt -65.42 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -44.67 -62.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.6 p -43.59 -51.54 6.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 97' ' ' ILE . 1.2 t80 -56.99 -22.47 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.747 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 47.8 m-70 -90.62 24.32 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.513 HG23 ' CD2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -162.58 111.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.612 HG23 ' CE2' ' A' ' 69' ' ' PHE . 54.3 t -94.7 149.6 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.41 96.92 10.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.44 106.16 0.71 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 132.25 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.436 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 17.5 m -150.88 133.9 15.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.21 165.4 28.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.92 50.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.83 -46.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.7 m-20 -96.27 -28.5 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.3 -25.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' A' ' 111' ' ' ASN . 85.7 t -62.2 133.31 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.21 -174.91 15.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 95.2 m -73.6 104.3 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.622 ' NE ' ' H ' ' A' ' 117' ' ' GLN . 2.5 tpm_? -105.52 147.07 28.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.622 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 10.2 tt0 -94.25 127.28 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.638 ' CG2' ' CG2' ' A' ' 124' ' ' VAL . 9.4 p -101.27 165.99 11.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 102' ' ' VAL . 21.0 mt -48.89 -54.04 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.575 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 16.0 tp60 -49.26 -31.93 9.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.29 -41.12 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.502 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -50.52 150.72 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.448 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 17.6 p -86.93 158.92 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.638 ' CG2' ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -124.37 102.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.4 m -69.8 73.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.514 ' C ' ' CG2' ' A' ' 127' ' ' THR . 3.2 t -72.32 145.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.514 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -156.47 -174.96 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 132.47 -95.43 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 21.7 tt0 90.45 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.2 -99.89 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 132' ' ' SER . 9.2 m120 -136.46 140.3 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.8 m 85.92 42.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 133' ' ' LEU . 4.1 mt -45.11 168.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.6 mttt -134.88 154.38 51.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 138' ' ' ALA . 1.8 t -149.11 122.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 42.87 45.64 5.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.7 t-20 88.05 -39.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 134' ' ' LYS . . . -51.97 171.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -120.7 116.95 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.548 ' CB ' ' HB2' ' A' ' 133' ' ' LEU . 77.4 t -58.26 113.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.412 ' CG2' HG22 ' A' ' 72' ' ' THR . 2.3 t -85.99 -47.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 27.4 t -160.48 106.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.43 176.14 18.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.57 20.19 79.41 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.5 t -87.93 52.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.4 m -43.33 128.67 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.534 ' CG2' ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -96.98 -99.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -104.94 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -127.86 37.87 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -168.5 138.89 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.711 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 30.7 m -78.11 174.23 11.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -138.99 129.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.9 m-85 -137.69 89.59 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.44 142.06 57.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.578 HD12 ' CE1' ' A' ' 101' ' ' HIS . 0.4 OUTLIER -134.56 -178.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.47 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 1.7 p-10 -118.38 39.21 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.441 ' N ' ' HB3' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -171.38 136.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.68 ' CG2' ' O ' ' A' ' 158' ' ' VAL . 1.5 m -78.59 71.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.687 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -22.52 135.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.36 140.67 38.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.583 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.05 121.56 6.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.0 64.88 6.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -140.3 78.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.79 -172.43 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.503 HG13 ' CB ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -117.94 172.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.05 155.29 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -163.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -63.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.26 -36.87 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.7 -40.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.91 -73.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -40.75 -43.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CE1' ' ND2' ' A' ' 15' ' ' ASN . 45.0 t80 -49.08 -64.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.62 -49.88 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.27 -46.9 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -77.43 -53.53 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 11' ' ' TYR . 2.3 m-80 -118.12 81.76 16.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.06 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -111.78 -153.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.7 43.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -8.0 19.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -82.54 -22.32 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 p -59.07 168.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.492 ' CG1' HG13 ' A' ' 145' ' ' VAL . 42.6 t -67.18 -29.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.1 -46.33 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.93 -46.3 25.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.4 ptp -70.56 -11.62 61.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 147' ' ' THR . 7.0 m -76.68 -26.52 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.22 -16.1 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.66 165.96 12.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 150.92 38.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.8 p -30.51 -48.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -50.29 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' SER . 21.9 t -35.81 -44.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -44.32 -54.35 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -70.45 -22.88 62.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -87.77 20.72 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -126.05 -41.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -55.41 130.77 70.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 174.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 3.47 5.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.773 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -117.44 -9.82 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 63.4 mt -105.7 -29.05 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 2.3 p -36.47 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -69.14 -55.03 11.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.532 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.68 -52.52 60.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 85.5 m -46.44 -57.01 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.96 -39.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.84 -69.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -48.98 -63.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.517 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 96.5 p -42.39 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.51 -20.79 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.488 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 6.5 mt-30 -43.59 -25.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -109.08 -44.09 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -113.36 92.48 23.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 26.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -130.66 4.61 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 7.6 p -150.98 153.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 7.8 p30 -152.92 108.09 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 12.91 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.517 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 4.7 t -78.7 -27.64 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -83.44 -19.56 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.2 m -94.94 -62.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 60' ' ' THR . 3.1 mt -37.64 -43.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -80.41 53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.08 110.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 86.8 138.02 5.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -50.77 105.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.3 m-30 -112.71 -174.63 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.511 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 80.8 m -153.14 89.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 11.6 t -53.03 142.86 5.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.1 m-85 -133.61 73.68 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.663 ' C ' HD11 ' A' ' 155' ' ' ILE . . . -108.27 125.43 31.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -136.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.862 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 125.7 9.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 37.9 p -67.03 -173.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 2.8 m120 -77.33 -2.18 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -106.46 -20.9 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -72.58 -37.01 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.862 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 39.2 m-85 -82.93 -24.68 32.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -24.08 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.1 mtmp? -70.69 -10.2 58.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 80' ' ' PRO . 11.4 mt -75.31 163.35 68.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -75.0 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 79' ' ' LEU . . . 72.27 -59.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.13 -47.5 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.447 ' HB ' ' HD2' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -51.52 -41.78 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.6 mm -63.18 -47.09 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.41 -16.47 9.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -90.47 -44.34 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 7.2 mt -55.75 -19.02 9.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.1 mtmt -84.2 7.81 17.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 88' ' ' LYS . 3.2 p -159.92 44.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.419 ' ND2' HD22 ' A' ' 87' ' ' LEU . 96.9 m-20 -122.63 -79.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 73.95 9.27 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -135.92 -44.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -89.46 -20.89 23.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -88.67 -44.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.9 t -47.17 -41.01 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.48 -42.61 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.488 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 1.1 mt -64.41 -54.75 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.86 -59.77 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.472 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 12.8 p -50.6 -51.3 49.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.698 ' CE2' ' O ' ' A' ' 160' ' ' MET . 17.0 t80 -59.03 -18.01 30.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.672 ' NE2' ' O ' ' A' ' 158' ' ' VAL . 41.5 m-70 -90.27 24.0 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.492 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 2.7 t -153.25 145.81 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.628 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 96.1 t -129.34 143.45 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.09 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.73 95.73 1.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.3 tt0 -53.4 127.25 24.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.433 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 23.5 m -139.59 138.36 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.0 p -74.04 163.99 64.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.503 ' CB ' HG13 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.98 45.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.59 19.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.525 ' O ' ' C ' ' A' ' 112' ' ' VAL . 34.0 m-20 -152.51 -51.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.35 -43.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' ASN . 2.4 p -40.91 127.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.19 170.7 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.9 m -65.94 81.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.506 ' CB ' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -79.65 -175.6 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -137.02 118.68 14.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.413 ' CG2' ' HB ' ' A' ' 124' ' ' VAL . 47.2 p -81.93 158.64 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.492 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -55.25 -25.31 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 120' ' ' GLN . 10.9 tp60 -61.34 -38.67 87.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.64 -32.51 3.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.47 158.41 36.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.506 HG11 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -111.5 99.7 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.0 m -67.47 100.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.515 HG11 ' CG2' ' A' ' 135' ' ' VAL . 41.5 t -94.45 150.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.509 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -156.5 -175.95 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 145.45 -125.58 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.1 tp60 80.84 68.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.75 -112.38 0.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 132' ' ' SER . 6.1 m120 -141.76 57.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER 159.75 72.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.665 ' HB2' ' CG2' ' A' ' 140' ' ' VAL . 1.1 mt -60.75 165.77 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -134.41 155.48 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 138' ' ' ALA . 1.9 t -152.98 128.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 39.27 42.15 1.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.587 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 8.4 t30 89.1 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -51.45 175.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.438 ' C ' HG21 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -124.19 120.26 31.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.665 ' CG2' ' HB2' ' A' ' 133' ' ' LEU . 73.8 t -55.98 137.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.4 t -115.99 -56.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.6 96.33 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.29 166.79 12.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.04 72.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.492 HG13 ' CG1' ' A' ' 22' ' ' VAL . 1.3 t -83.18 58.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 73.7 m -53.14 124.77 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 14.3 p -87.04 -108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.34 -47.31 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -152.4 40.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.559 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -171.31 133.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.7 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 32.3 m -76.59 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.453 ' CG2' ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -142.98 129.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -133.21 93.17 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.614 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -68.71 114.35 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.663 HD11 ' C ' ' A' ' 70' ' ' ALA . 1.2 pp -109.06 166.94 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.469 ' O ' ' OG ' ' A' ' 157' ' ' SER . 15.4 p-10 -98.87 44.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 159' ' ' LEU . 1.3 m -172.17 141.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.672 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -73.72 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.589 ' C ' ' HG3' ' A' ' 160' ' ' MET . 61.0 mt 47.97 -88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.698 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER 87.53 137.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 123.24 7.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 73.93 4.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p30 177.75 139.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.9 mm? -109.07 -170.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -119.5 158.56 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 157.3 33.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -48.26 -42.3 24.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -32.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.26 -75.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -49.43 -51.76 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' O ' ' A' ' 20' ' ' ALA . 75.8 t80 -37.24 -65.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.75 -44.96 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.21 -43.39 64.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.65 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.89 79.28 32.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -62.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.7 p -121.09 110.09 15.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.71 -169.29 39.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -20.98 16.26 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -98.21 28.68 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.3 p -100.91 166.55 10.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.05 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.485 ' CG1' HG11 ' A' ' 145' ' ' VAL . 6.4 m -66.89 -12.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' SER . 37.2 tp60 -107.72 -58.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.94 -42.14 7.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.467 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 14.9 ptp -70.18 -25.31 63.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' GLN . 3.1 t -54.96 -55.57 29.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -51.97 -18.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.459 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -93.17 144.09 27.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 100.53 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.743 ' O ' ' N ' ' A' ' 33' ' ' ALA . 4.3 p 27.58 -111.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -16.46 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.63 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 45.5 t -33.44 -51.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -47.21 -55.15 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -63.4 -12.35 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -84.26 16.32 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.426 ' OD1' ' OD2' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -134.42 -39.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 20.2 m-80 -49.42 129.97 18.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 171.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.0 4.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -121.51 -5.15 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' CB ' ' A' ' 37' ' ' ASN . 11.0 mt -117.09 -33.83 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 1.1 p -36.15 -36.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -67.37 -54.68 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.73 -47.73 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.534 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 17.7 m -49.33 -61.14 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -37.14 -38.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.92 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -48.78 -60.53 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' HA ' HG11 ' A' ' 58' ' ' VAL . 9.2 p -40.68 -67.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.31 -22.41 0.57 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 1.3 mm-40 -40.52 -57.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 tp -62.72 -49.99 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.503 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -128.91 113.98 18.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 11.61 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.506 1.792 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -116.2 7.97 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 56' ' ' ASN . 2.4 t -128.92 153.64 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' N ' HG12 ' A' ' 55' ' ' VAL . 2.6 p30 -165.68 113.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 60' ' ' THR . 10.1 mt -121.67 -38.01 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.1 p -32.73 -65.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' VAL . 6.0 t0 -39.3 -46.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.0 m -70.28 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 4.6 mt -39.05 -30.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 6.5 t-20 -90.76 53.65 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -175.78 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 99.42 131.62 7.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.8 mt-30 -50.76 106.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 9.7 m-30 -113.94 -172.72 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.528 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 46.7 m -153.42 86.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.422 ' CG2' HG22 ' A' ' 30' ' ' VAL . 58.9 t -51.52 135.56 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' A' ' 103' ' ' VAL . 8.2 m-85 -125.1 67.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 155' ' ' ILE . . . -95.29 129.94 33.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -139.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.716 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.5 Cg_endo -74.94 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 67.1 p -56.15 169.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -32.41 73.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.98 -19.65 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -75.08 -47.41 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.716 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 37.5 m-85 -67.81 -50.58 56.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -41.61 -53.76 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.0 mtmp? -37.94 -51.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.26 146.66 70.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.99 138.69 23.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.22 -44.85 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -43.38 -47.27 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.81 -58.8 6.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 mm -48.82 -61.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.528 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -46.7 -39.83 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -62.32 -45.11 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.495 HD22 ' ND2' ' A' ' 90' ' ' ASN . 8.7 mt -53.45 -49.41 67.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.528 ' CD ' ' HA ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -57.94 -9.87 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.432 ' N ' ' C ' ' A' ' 87' ' ' LEU . 11.3 t -138.56 38.21 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.495 ' ND2' HD22 ' A' ' 87' ' ' LEU . 91.9 m-20 -119.59 -68.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.95 -59.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 m -90.17 42.35 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.467 ' CD2' ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -164.1 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -70.86 -40.63 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.7 t -49.85 -44.46 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -52.82 -39.01 62.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 98' ' ' LEU . 2.6 mt -68.1 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.495 ' O ' HG12 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -43.88 -62.5 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.438 HG21 ' CD1' ' A' ' 57' ' ' LEU . 12.6 p -48.33 -46.11 36.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.668 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.8 t80 -65.93 -12.3 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 14.1 m-70 -96.97 21.54 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -155.2 132.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.496 HG23 ' CE2' ' A' ' 69' ' ' PHE . 24.6 t -109.78 158.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.442 ' N ' HG11 ' A' ' 103' ' ' VAL . . . -104.61 98.8 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.95 97.25 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.406 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.2 OUTLIER -57.6 125.83 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.424 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 21.7 m -146.5 128.49 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -59.43 165.67 3.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 50.93 2.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.88 -45.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.9 m120 -99.37 -27.96 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -21.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 111' ' ' ASN . 95.3 t -74.22 137.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 -105.25 1.08 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.3 m -135.55 138.87 43.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -136.89 171.52 14.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -124.05 103.45 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 100' ' ' TYR . 68.6 p -62.11 140.71 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.472 HD23 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.73 -31.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -54.47 -57.9 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.29 -24.11 1.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -80.21 158.85 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -93.14 138.1 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 116' ' ' ARG . 3.1 p -108.89 115.31 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -79.41 106.72 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 135' ' ' VAL . 28.1 t -97.85 160.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.7 m -154.98 174.89 14.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -155.92 130.47 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -150.29 53.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 132' ' ' SER . . . 101.65 -162.83 17.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.21 62.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER 173.72 65.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.577 ' HB2' ' CG2' ' A' ' 140' ' ' VAL . 4.6 mt -58.15 175.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 5.0 mtpt -133.2 151.26 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 138' ' ' ALA . 2.1 t -151.11 120.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.36 44.82 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.581 1.176 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t-20 87.43 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -54.2 173.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.35 113.76 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.577 ' CG2' ' HB2' ' A' ' 133' ' ' LEU . 75.6 t -55.46 126.71 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.88 -50.39 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 10.1 t -153.42 104.14 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.51 168.86 12.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.2 70.87 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.485 HG11 ' CG1' ' A' ' 22' ' ' VAL . 0.8 OUTLIER -88.33 58.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.7 m -50.06 118.88 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.3 p -86.13 -100.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -98.91 -76.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -127.42 35.0 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.486 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -163.56 136.53 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.572 HG23 ' CE2' ' A' ' 153' ' ' TYR . 21.3 m -74.12 175.84 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.421 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.3 t -142.71 127.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.572 ' CE2' HG23 ' A' ' 151' ' ' THR . 92.6 m-85 -135.29 93.75 3.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.468 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -63.45 142.26 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.491 HD11 ' CE1' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -135.0 166.83 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 8.5 p-10 -109.61 47.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.8 OUTLIER -170.87 140.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 76' ' ' PHE . 42.3 t -79.03 71.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.63 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -34.02 135.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.668 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.9 mtt -132.02 150.04 74.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.44 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.92 138.84 23.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -75.02 136.38 20.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.73 -176.61 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.56 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -141.42 163.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.64 152.02 27.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' C ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.98 -66.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -42.52 -26.69 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -39.74 -58.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -58.04 -71.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' ALA . 6.1 mp0 -36.59 -50.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 89.4 t80 -64.72 -53.73 42.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.54 -29.9 7.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -81.12 -41.6 22.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.405 ' HB3' ' N ' ' A' ' 21' ' ' SER . 38.3 m-80 -122.11 76.25 41.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLY . 14.7 p -114.03 -19.85 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.62 172.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.63 20.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.548 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -95.22 -7.74 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' CE ' ' A' ' 25' ' ' MET . 15.7 m -59.36 -165.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG1' HG13 ' A' ' 145' ' ' VAL . 16.2 t -83.23 -40.83 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.59 -36.15 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -46.38 92.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.518 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.3 ptp -63.16 -13.6 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 28' ' ' ASP . 7.4 t -63.61 -56.79 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -46.86 -22.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 73.6 m-20 -92.37 141.4 24.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 99.59 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.706 ' O ' ' C ' ' A' ' 31' ' ' ALA . 9.6 p 31.45 -121.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.88 -70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' SER . 69.3 t -31.45 -62.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.649 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -31.05 -73.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' C ' HG21 ' A' ' 44' ' ' THR . . . -47.42 -42.03 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.8 t -56.75 -15.22 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m-80 -111.14 -27.01 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.614 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 2.7 m120 -51.24 121.81 17.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 163.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 10.1 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.704 ' C ' HD22 ' A' ' 40' ' ' LEU . 2.8 mt-10 -120.81 -19.22 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.942 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -105.37 -14.79 15.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -37.94 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.8 m -73.83 -54.4 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -52.92 -56.08 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.599 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 73.3 p -50.36 -55.05 17.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.43 -36.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -68.71 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -47.82 -60.08 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.557 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 1.4 t -42.16 -66.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.91 -22.78 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.5 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 28.2 mt-30 -37.92 -59.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -56.37 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -133.9 126.04 18.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 6.92 3.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.93 3.78 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.4 HG11 ' O ' ' A' ' 47' ' ' LEU . 13.8 t -123.11 147.55 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.6 p30 -164.72 109.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -124.36 -43.96 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.648 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -16.79 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.497 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 5.6 m-20 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.671 ' N ' ' O ' ' A' ' 57' ' ' LEU . 87.2 m -55.5 -44.32 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 58' ' ' VAL . 3.6 mt -54.22 -31.53 53.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -86.43 6.9 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 60' ' ' THR . 29.1 t -56.46 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.73 -178.16 20.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -50.86 107.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.3 m-30 -112.96 -170.17 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.525 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 32.7 m -152.88 87.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.653 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 39.6 t -51.44 139.66 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.602 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.6 m-85 -133.69 66.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB1' ' CG1' ' A' ' 68' ' ' VAL . . . -100.85 129.07 28.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -138.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.69 ' HD3' ' ND1' ' A' ' 101' ' ' HIS . 18.4 Cg_endo -74.98 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.608 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 38.2 p -61.08 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.491 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 24.5 m120 -72.1 -47.26 52.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.67 -11.11 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.7 -52.32 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.684 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -79.48 -32.69 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -63.39 -24.48 67.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -65.65 -45.76 81.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 158' ' ' VAL . 57.9 mt -68.71 149.0 98.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 158.95 41.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.38 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -50.76 -41.74 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.426 ' CG2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -64.73 -47.68 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.17 -49.37 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.52 -19.68 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 2.2 tp10 -82.75 -46.9 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 7.2 mt -59.54 -18.38 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 89' ' ' THR . 4.5 mtmp? -89.51 16.98 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.45 30.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 92.4 m-20 -116.63 -73.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 1.2 t 67.37 8.97 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -134.66 -45.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -22.96 23.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.83 -44.67 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.409 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 50.6 m -52.55 -46.1 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.469 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.6 -39.92 62.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 98' ' ' LEU . 1.6 mt -64.59 -57.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -46.88 -61.08 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.444 ' O ' HG12 ' A' ' 102' ' ' VAL . 1.2 p -47.97 -44.26 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.3 t80 -68.49 -10.99 59.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.69 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.2 m-70 -98.55 16.42 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.462 ' CG1' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -153.8 129.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.602 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 45.4 t -108.81 146.72 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.92 106.07 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.1 97.53 0.92 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -48.92 145.52 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.487 ' HG1' ' NH2' ' A' ' 116' ' ' ARG . 19.4 m -160.31 151.34 19.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.449 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 2.8 p -86.04 165.88 31.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 3.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.95 -8.57 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' VAL . 12.2 m120 -123.15 -41.53 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 108' ' ' SER . 1.2 p -40.66 -33.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.75 124.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.15 172.1 13.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 m -66.47 106.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.487 ' NH2' ' HG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -103.54 -175.39 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 26.0 tt0 -136.2 115.88 12.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.474 HG22 ' CD1' ' A' ' 100' ' ' TYR . 74.2 p -75.4 147.7 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 102' ' ' VAL . 0.3 OUTLIER -44.87 -28.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -56.78 -55.22 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.18 -26.18 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.542 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.63 173.15 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.2 135.02 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.488 ' CG2' HG12 ' A' ' 135' ' ' VAL . 3.5 p -107.02 97.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 m -65.45 100.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.484 ' C ' ' CG2' ' A' ' 127' ' ' THR . 2.5 t -93.29 152.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.484 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -160.61 168.38 25.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 150.16 -131.82 3.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 6.7 tt0 161.26 -49.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.3 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -176.02 109.11 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 65.29 117.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.9 t 85.03 58.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.552 ' HB2' ' CB ' ' A' ' 140' ' ' VAL . 1.0 OUTLIER -84.32 170.6 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.512 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.4 mtpt -135.24 156.16 49.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.488 HG12 ' CG2' ' A' ' 124' ' ' VAL . 2.1 t -148.74 107.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.58 -48.1 0.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.512 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.8 OUTLIER -176.86 -33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -63.37 168.08 4.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.44 118.14 35.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.552 ' CB ' ' HB2' ' A' ' 133' ' ' LEU . 74.4 t -55.04 105.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.458 HG21 ' CA ' ' A' ' 155' ' ' ILE . 2.3 t -70.91 -50.14 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 39.0 t -160.8 109.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 108.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.44 174.98 16.6 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.96 78.63 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.519 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.7 t -92.92 50.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 54.9 m -39.03 123.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 3.2 p -89.61 -104.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 28' ' ' ASP . . . -100.22 -71.2 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -130.51 45.04 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 30' ' ' VAL . . . -176.72 135.36 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.69 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 53.8 m -68.74 171.79 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.7 t -135.74 127.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.69 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 75.1 m-85 -137.03 85.77 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.608 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.7 mtm -65.43 141.88 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.549 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -129.76 -178.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.92 38.84 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -163.63 141.48 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 159' ' ' LEU . 53.2 t -80.68 74.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.555 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 67.0 mt -33.48 151.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.3 mtp -141.11 144.87 36.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.469 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 134.08 17.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.542 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.5 Cg_endo -74.97 74.67 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' LEU . 3.7 m-20 -102.53 115.69 31.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER 46.1 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.465 HG11 ' CG ' ' A' ' 109' ' ' PRO . 4.2 p -142.78 151.95 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.76 147.72 22.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.993 -160.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -39.95 1.04 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -55.65 -64.98 3.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -39.07 -52.19 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 6' ' ' PRO . . . -39.94 -52.26 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' TYR . 4.2 mt-10 -80.65 -41.59 23.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 52.8 t80 -35.0 -66.51 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.91 -53.79 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.26 -42.26 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.77 -51.97 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -118.28 81.83 17.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.76 5.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.0 p -127.6 -165.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.43 174.43 48.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -10.32 21.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.0 -34.72 38.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -56.16 170.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.53 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 26.6 t -61.12 -69.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -55.48 -21.72 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.62 -63.69 3.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 14.4 ptp -58.93 -13.53 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 15.0 m -69.97 -28.33 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.89 8.27 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.83 164.06 42.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.58 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.98 144.29 30.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.793 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.593 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 10.0 p -24.9 -50.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -49.41 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' ALA . 11.8 t -40.11 -39.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' CB ' HG22 ' A' ' 147' ' ' THR . . . -47.78 -55.86 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 44' ' ' THR . . . -75.21 -16.08 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.464 ' N ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.68 33.68 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -143.74 -41.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -47.16 131.07 9.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 170.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -122.73 -2.25 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 14.3 mt -113.47 -35.52 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -32.77 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.3 m -65.69 -55.48 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.72 -49.51 74.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.629 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -48.47 -54.58 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -43.63 -38.31 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.29 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.629 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -45.15 -62.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.559 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 9.1 t -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.41 -21.53 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 7.7 mt-30 -43.25 -25.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -108.63 -45.68 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.581 ' CB ' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -108.9 99.47 35.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.0 12.71 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.2 mt-30 -126.63 5.47 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -126.06 179.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.487 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.4 p30 173.57 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.0 mm? -91.82 -22.97 19.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.559 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.5 t -34.1 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.571 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 10.1 t0 -48.1 -50.58 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.614 ' O ' ' CE2' ' A' ' 66' ' ' TYR . 53.3 m -60.68 -11.47 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.1 mt -101.51 -38.7 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.571 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 20.7 p-10 -83.49 46.69 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -169.6 109.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 93.55 127.68 4.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -47.51 111.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE2' ' O ' ' A' ' 60' ' ' THR . 4.1 m-30 -115.11 -174.17 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.532 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 51.0 m -152.0 85.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.593 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 94.7 t -50.92 135.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CE2' HG23 ' A' ' 103' ' ' VAL . 6.8 m-85 -125.99 70.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -100.29 127.78 32.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -136.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.702 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.01 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 33.5 p -56.5 165.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.87 69.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.5 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -76.13 -44.52 38.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.702 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 30.8 m-85 -66.11 -28.7 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -70.3 -47.43 61.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' SER . 25.5 mtpt -39.75 -36.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 80' ' ' PRO . 0.3 OUTLIER -50.78 163.34 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.99 8.27 2.49 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.784 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 76.37 -54.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.2 p -49.71 -44.41 48.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -53.36 -50.79 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 87' ' ' LEU . 32.9 mm -52.04 -65.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.438 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 6.3 m-20 -41.28 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.471 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 0.9 OUTLIER -75.9 -44.29 41.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ILE . 20.9 mt -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.76 -7.86 4.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 87' ' ' LEU . 10.2 t -144.14 42.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.496 ' ND2' HD23 ' A' ' 87' ' ' LEU . 95.9 m-20 -122.79 -50.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 40.1 31.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -151.12 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.42 -13.19 50.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -95.81 -52.8 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.29 -40.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.485 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.6 OUTLIER -63.46 -38.07 89.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' LEU . 5.0 mt -68.17 -56.26 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -50.5 -52.3 39.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.517 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 26.2 p -59.41 -44.59 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.652 ' CE2' ' O ' ' A' ' 160' ' ' MET . 50.7 t80 -66.38 -14.68 62.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.641 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.2 m-70 -91.61 20.36 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -154.82 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.612 HG23 ' CE2' ' A' ' 69' ' ' PHE . 97.7 t -105.86 141.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.9 103.69 15.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.27 101.13 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 134.38 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.471 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 15.5 m -153.32 134.54 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p -66.15 164.64 27.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.99 50.87 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 -45.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -98.77 -29.85 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.4 p -48.75 -29.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 51.1 t -64.77 128.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.46 -179.78 16.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.0 m -63.73 99.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.45 ' CB ' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -98.02 -177.0 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -135.43 116.65 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.405 ' CG2' HG12 ' A' ' 124' ' ' VAL . 69.2 p -78.58 168.22 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.491 ' CD2' HG11 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -65.76 -25.46 67.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 28.9 tp60 -73.84 -1.08 17.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 95.32 -52.03 1.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.485 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -45.07 163.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 p -101.79 151.64 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.45 HG13 ' CB ' ' A' ' 116' ' ' ARG . 3.7 p -125.58 96.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 136' ' ' GLY . 32.4 m -67.05 92.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 135' ' ' VAL . 16.5 t -80.12 164.23 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.7 m -156.1 173.12 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -176.85 142.82 6.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -128.36 -50.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.79 -121.56 0.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 -73.81 57.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.5 p 158.87 100.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 133' ' ' LEU . 8.8 mp -93.3 167.46 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.69 154.94 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 137' ' ' ASN . 2.5 t -140.16 103.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 125' ' ' THR . . . 63.71 -68.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.9 m120 -141.92 -41.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.528 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -60.3 177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -124.13 121.76 36.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.33 127.12 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.504 HG22 ' CA ' ' A' ' 155' ' ' ILE . 1.8 t -106.4 -34.86 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.611 ' SG ' ' CG2' ' A' ' 145' ' ' VAL . 14.9 t -161.63 98.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.566 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.96 156.75 15.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.8 18.68 53.99 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.611 ' CG2' ' SG ' ' A' ' 142' ' ' CYS . 5.4 t -91.59 64.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 4.5 m -55.0 129.33 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.552 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 16.7 p -87.47 -107.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.19 -37.44 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -157.54 35.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.565 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -167.93 136.24 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.689 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 52.3 m -79.06 171.49 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.43 ' O ' ' HA2' ' A' ' 143' ' ' GLY . 1.3 t -138.92 129.06 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.0 m-85 -135.78 86.32 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -57.46 146.38 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.528 ' HB ' ' CB ' ' A' ' 138' ' ' ALA . 0.4 OUTLIER -138.04 169.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 6.0 p-10 -110.61 47.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.518 ' HB2' ' CB ' ' A' ' 138' ' ' ALA . 4.4 m -175.82 149.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' A' ' 159' ' ' LEU . 71.6 t -81.56 68.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.536 ' C ' ' O ' ' A' ' 158' ' ' VAL . 1.6 tp -29.68 139.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.652 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.7 mtp -132.15 147.41 65.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.485 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 129.87 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.95 56.73 4.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -128.77 86.7 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -123.22 -176.74 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -114.31 127.41 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.43 156.07 8.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.31 -44.16 89.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.85 -31.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.98 -69.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -50.16 74.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 52.9 t80 -38.72 -64.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.84 -43.09 6.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -74.31 -47.67 33.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -124.71 80.64 61.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.02 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -132.84 106.12 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . -175.01 -164.34 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.45 10.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 34.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.455 ' O ' ' CE ' ' A' ' 25' ' ' MET . 97.1 p -106.25 175.78 5.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.534 ' CG1' ' CG1' ' A' ' 145' ' ' VAL . 27.1 m -76.02 -15.16 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 26' ' ' SER . 48.5 tt0 -107.04 -52.48 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -48.88 -21.91 2.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.567 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 16.5 ptp -93.82 -19.23 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' GLN . 0.4 OUTLIER -58.88 -43.96 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.59 -18.54 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 89.2 m-20 -95.44 143.96 27.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.04 97.41 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.703 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.6 p 32.29 -120.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -9.06 -71.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 35' ' ' SER . 73.7 t -33.64 -60.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -36.94 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.93 -31.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.613 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.3 t -77.28 48.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 42.1 m-80 -166.0 -39.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -54.75 130.9 65.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 170.034 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.63 4.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' C ' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -119.51 -8.05 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 41.5 mt -109.82 -31.79 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.7 p -34.43 -37.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.58 -56.35 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.3 -47.98 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 6.8 m -46.23 -57.38 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.96 -42.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.99 -70.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.569 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -48.89 -63.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -38.11 -52.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.57 -25.38 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -41.03 -49.29 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -77.68 -48.18 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -115.05 90.45 23.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 8.84 2.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -111.28 4.63 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.505 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 6.4 p -154.3 158.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.9 p30 -150.97 129.99 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' ' C ' ' A' ' 58' ' ' VAL . 1.5 mm? -109.29 -48.51 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.611 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -21.68 -79.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.531 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.61 -55.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -57.71 -51.66 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -54.36 -33.37 58.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.91 52.26 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -115.72 -93.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.71 179.94 22.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mt-30 -58.33 106.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 12.4 m-30 -111.81 -170.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.514 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 26.0 m -152.04 86.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 46.3 t -52.12 137.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.0 m-85 -125.29 65.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -94.7 125.77 50.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -139.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.812 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.99 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 20.2 p -52.92 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.429 ' ND2' ' C ' ' A' ' 39' ' ' GLU . 1.5 m-80 -84.08 0.51 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.46 -12.83 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 157' ' ' SER . . . -79.19 -42.46 26.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.812 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.4 m-85 -77.06 -44.82 29.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -49.6 -23.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.48 -29.37 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 158' ' ' VAL . 31.5 mt -82.57 154.72 68.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.18 26.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.78 -48.41 4.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -42.91 -58.37 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.86 -47.15 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.84 -47.37 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -19.12 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 6.5 tp10 -84.84 -52.48 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.48 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 5.9 mt -54.66 -19.14 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.9 mttt -81.07 4.43 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.7 p -145.93 14.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 2.6 m-20 -117.77 156.0 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 91' ' ' SER . 2.8 t -149.37 18.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.02 -43.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.79 -36.12 23.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -74.22 -49.29 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.8 t -47.71 -43.13 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.518 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -51.81 -45.88 64.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -54.64 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 101' ' ' HIS . 2.3 mt -45.33 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.493 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 68.6 p -43.16 -49.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.7 t80 -58.77 -16.09 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.741 ' NE2' ' N ' ' A' ' 159' ' ' LEU . 18.7 m-70 -99.43 20.66 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.33 117.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 118' ' ' THR . 2.9 t -95.92 159.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.425 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -104.59 97.41 7.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.87 87.97 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.44 128.89 8.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.443 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 30.9 m -147.27 126.61 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.6 p -61.65 168.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.06 49.52 2.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.13 -45.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 113' ' ' VAL . 32.2 m-20 -98.23 -34.98 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.57 -29.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 111' ' ' ASN . 12.6 p -63.09 139.9 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.12 171.03 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 2.4 t -62.35 99.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 179.74 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 103' ' ' VAL . 42.3 tt0 -118.35 119.72 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.488 ' CG2' ' CG1' ' A' ' 124' ' ' VAL . 31.1 p -92.49 166.42 12.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 102' ' ' VAL . 16.2 mt -51.75 -58.65 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.493 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -38.51 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 107.62 -17.34 36.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.16 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.3 m -81.42 139.93 34.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 118' ' ' THR . 2.7 p -115.83 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 19.3 m -65.33 85.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.502 HG12 ' CG2' ' A' ' 135' ' ' VAL . 60.2 t -76.45 155.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.445 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -152.5 169.29 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 148.97 151.18 5.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 177.75 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 67.55 86.98 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 132' ' ' SER . 21.8 m120 42.5 84.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER 162.46 43.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 4.9 mt -74.23 129.56 38.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.15 155.15 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 126' ' ' VAL . 1.6 t -150.25 123.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.87 47.02 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.5 t-20 87.74 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -50.07 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.74 114.15 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 42.2 t -56.44 102.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.3 t -70.31 -49.04 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 11.0 t -155.13 105.54 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.43 167.17 12.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.64 17.69 67.68 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.534 ' CG1' ' CG1' ' A' ' 22' ' ' VAL . 1.6 t -85.42 51.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.3 m -43.67 128.98 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.498 ' CG2' ' SD ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -98.04 -103.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.61 -75.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -125.41 46.33 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.472 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -178.36 143.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.565 HG21 ' CE2' ' A' ' 153' ' ' TYR . 19.5 m -81.59 176.09 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.443 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.8 t -142.96 125.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.565 ' CE2' HG21 ' A' ' 151' ' ' THR . 91.2 m-85 -133.47 91.72 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 2.2 mtm -61.79 140.69 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.601 ' CD1' ' O ' ' A' ' 157' ' ' SER . 1.0 OUTLIER -140.66 172.39 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.5 p-10 -114.43 49.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.601 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 0.8 OUTLIER -173.44 121.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.78 ' CG2' ' O ' ' A' ' 158' ' ' VAL . 0.9 OUTLIER -69.91 70.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.741 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 1.8 mp -25.48 143.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.725 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.63 144.58 53.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.518 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.95 113.16 3.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.51 4.62 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.63 169.17 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.32 -175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 109' ' ' PRO . 33.4 m -117.34 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.16 151.71 8.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -52.13 -47.45 55.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -41.68 -51.84 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.37 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -53.31 -54.45 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 72.1 t80 -37.36 -66.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.82 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.05 -42.83 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.73 -50.21 26.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -120.63 90.05 45.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.53 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.1 p -146.76 -176.73 5.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.3 -154.45 16.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -32.93 4.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -76.77 -117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ALA . 11.0 m 42.05 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.508 ' CB ' HG12 ' A' ' 145' ' ' VAL . 32.6 m -92.78 -29.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' N ' HG21 ' A' ' 22' ' ' VAL . 10.6 tp60 -90.52 -28.3 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -61.49 -15.43 46.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.515 ' CE ' HG13 ' A' ' 145' ' ' VAL . 15.5 ptp -110.18 -17.67 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HA ' ' C ' ' A' ' 147' ' ' THR . 58.6 m -73.97 -15.42 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -92.82 7.92 41.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.91 170.09 10.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.98 143.43 29.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.61 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 14.2 p -28.12 -41.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -55.11 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' SER . 40.8 t -42.34 -37.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 147' ' ' THR . . . -45.26 -30.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.05 -29.67 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 32' ' ' VAL . 17.5 t -67.54 -8.39 33.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -90.26 -55.4 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 1.3 t-20 -53.72 139.88 49.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -167.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 1.9 mm-40 -124.89 1.74 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 29.7 mt -117.53 -33.4 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.4 p -34.84 -43.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.45 -54.06 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.88 -40.41 84.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.554 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 18.5 m -51.12 -56.23 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.494 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.35 -33.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' HG21 ' A' ' 55' ' ' VAL . . . -70.51 -73.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.511 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 54.0 p -47.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.16 -21.94 0.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 5.5 mt-30 -38.39 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.49 -55.06 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.503 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -125.95 129.03 24.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.95 0.71 10.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 52' ' ' ASN . 3.6 m -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.4 p30 -138.17 98.21 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.7 mm? -87.96 -31.57 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.511 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 41.6 t -36.25 -65.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -39.91 -40.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 7.8 m -78.2 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 66' ' ' TYR . 46.8 mt -32.96 -46.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -81.94 50.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.9 t -114.37 -91.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -118.36 -175.51 16.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -52.18 106.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 5.0 m-30 -113.63 -175.08 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 37.2 m -152.21 88.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.61 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 4.8 t -52.51 141.6 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE2' HG23 ' A' ' 103' ' ' VAL . 10.2 m-85 -130.36 66.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -98.91 130.32 27.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -137.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.781 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.98 127.64 10.86 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 155' ' ' ILE . 37.1 p -74.98 173.6 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 5.6 m120 -61.82 -29.95 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.61 -0.99 52.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HB2' ' CA ' ' A' ' 157' ' ' SER . . . -95.86 -44.57 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.781 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.6 m-85 -71.07 -30.96 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -60.37 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.9 mt -56.15 149.7 34.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.46 35.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.28 -51.59 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -41.41 -50.82 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -48.25 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.37 -59.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.56 -24.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -78.97 -48.52 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 87' ' ' LEU . 4.6 mt -50.82 -22.63 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -91.85 27.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 6.5 t -174.83 35.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 93.0 m-20 -119.0 -73.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 t 69.77 12.3 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 m -136.84 -44.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -93.98 -20.12 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -86.15 -45.63 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -52.61 -45.29 66.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.559 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.45 -39.15 60.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.453 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 2.0 mt -65.16 -60.08 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' O ' HG21 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -47.88 -58.27 4.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.538 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 2.1 p -48.89 -49.45 39.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.755 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.1 t80 -59.91 -24.7 64.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.661 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 64.5 m-70 -82.75 21.29 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.484 ' CG2' ' C ' ' A' ' 101' ' ' HIS . 2.0 t -153.36 141.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.597 HG23 ' CE2' ' A' ' 69' ' ' PHE . 31.2 t -129.15 128.78 67.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.58 98.0 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' NH2' ' A' ' 116' ' ' ARG . . . 139.62 107.87 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 131.68 44.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.8 m -154.35 127.97 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.425 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.4 p -59.07 168.63 1.45 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CB ' HG23 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 50.12 2.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.18 -45.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 9.6 m120 -99.71 -27.79 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.2 p -53.59 -19.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 114' ' ' GLY . 57.6 t -60.77 148.04 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.435 ' N ' HG12 ' A' ' 113' ' ' VAL . . . 87.78 -177.68 46.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.32 127.69 32.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.516 ' CD ' HG13 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -128.45 136.18 50.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -81.6 127.22 32.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.741 ' CG2' ' CG2' ' A' ' 124' ' ' VAL . 9.6 p -102.13 163.19 12.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.8 OUTLIER -59.64 -21.15 60.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.538 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 29.9 tp60 -69.8 -36.69 75.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -27.39 5.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -75.98 172.22 13.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 p -109.2 150.36 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.741 ' CG2' ' CG2' ' A' ' 118' ' ' THR . 0.1 OUTLIER -112.8 110.75 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.6 m -69.13 73.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.492 HG12 ' CG2' ' A' ' 135' ' ' VAL . 16.5 t -67.72 159.75 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.446 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -160.53 171.02 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -175.14 147.46 8.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -159.31 83.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 71.41 -57.57 1.19 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -160.53 45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.45 58.87 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.641 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.4 OUTLIER -69.67 135.28 49.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 20.7 mttt -134.26 159.61 40.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.496 ' CG1' HD23 ' A' ' 159' ' ' LEU . 2.1 t -156.96 133.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 35.78 43.37 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.5 t-20 87.72 -47.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -46.45 172.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 17.8 m-20 -117.28 122.59 44.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.641 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 63.8 t -59.99 123.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.67 -53.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.408 ' SG ' HG23 ' A' ' 145' ' ' VAL . 26.2 t -149.91 103.02 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.23 160.61 13.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.19 23.97 38.85 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.515 HG13 ' CE ' ' A' ' 25' ' ' MET . 2.6 t -95.16 66.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.0 m -52.74 128.14 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 4.8 p -88.12 -108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.15 -41.15 4.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -151.95 41.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.542 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -177.5 151.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.59 HG23 ' CE2' ' A' ' 153' ' ' TYR . 32.9 m -89.21 173.96 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.431 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -140.18 128.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.59 ' CE2' HG23 ' A' ' 151' ' ' THR . 91.7 m-85 -135.69 89.46 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.524 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 6.5 mtm -62.62 143.89 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -133.68 173.63 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 1.3 p-10 -110.16 38.5 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.7 OUTLIER -168.83 152.72 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 160' ' ' MET . 89.0 t -73.26 13.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.651 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 8.6 mt 51.08 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.755 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 33.4 mtp 82.06 140.89 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.559 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.93 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.1 Cg_endo -75.02 70.66 5.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.27 135.03 39.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 46.27 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -136.02 165.03 30.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.67 154.55 15.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.54 1.15 . . . . 0.0 111.06 -170.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.457 1.767 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.72 -38.96 10.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.01 -50.11 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.21 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -54.1 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.6 t80 -40.3 -55.3 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.03 -47.52 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.87 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.38 -45.91 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -124.31 73.69 59.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.0 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' GLY . 13.6 p -115.8 -16.8 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.86 174.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -95.37 -1.75 50.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.2 p -68.43 166.35 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.492 ' CG2' HG11 ' A' ' 145' ' ' VAL . 17.5 t -58.36 -27.85 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' SER . 55.2 tt0 -92.06 -47.45 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.77 -22.9 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.448 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 13.7 ptp -99.86 -24.09 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' GLN . 22.8 t -61.77 -15.97 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.19 25.84 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 148' ' ' ALA . 24.6 m-20 -148.36 153.03 40.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.653 ' O ' ' C ' ' A' ' 31' ' ' ALA . 3.1 p 27.5 -106.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.653 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -18.08 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.621 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 54.3 t -30.52 -55.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.644 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -42.9 -62.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -46.22 -24.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -79.61 46.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -154.11 -46.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 40' ' ' LEU . 29.1 t-20 -48.39 131.78 13.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 8.08 2.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 1.1 mm-40 -128.0 3.67 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 37' ' ' ASN . 34.9 mt -118.87 -29.55 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 53.6 p -36.23 -40.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -63.17 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.55 -48.21 82.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.552 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.2 m -49.35 -58.07 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.28 -37.09 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.515 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . . . -66.7 -73.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.552 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -43.57 -59.55 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 1.1 p -43.96 -66.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.497 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 148.79 -21.1 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.09 -24.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.52 -44.7 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.597 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -123.01 106.08 34.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -115.9 -2.45 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.597 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -126.76 149.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 2.8 p30 -159.66 101.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' THR . 0.4 OUTLIER -109.63 -27.07 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 2.8 p -33.54 -56.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.17 -39.15 89.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' LEU . 64.1 m -62.97 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 2.2 mm? -30.79 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' THR . 55.6 t30 -82.2 50.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -91.85 -84.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -156.62 118.85 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.54 ' O ' ' O ' ' A' ' 64' ' ' GLY . 14.2 mt-30 37.81 99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 63' ' ' SER . 2.6 m-85 -122.84 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.496 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 23.8 m -152.49 85.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 30' ' ' VAL . 13.6 t -52.64 133.5 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 103' ' ' VAL . 7.2 m-85 -120.9 65.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -93.9 128.07 42.87 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -138.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.69 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.04 119.97 5.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 66.3 p -67.62 177.73 1.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.403 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 9.3 m120 -61.03 -55.98 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.51 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 157' ' ' SER . . . -74.99 -51.8 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.69 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 24.4 m-85 -68.38 -37.54 80.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -42.48 76.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.7 mtmt -40.67 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' LYS . 9.6 mt -39.69 150.13 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.86 59.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.84 -46.51 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -53.03 60.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.8 mm -56.23 -41.63 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.18 -16.89 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -88.33 -39.33 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.557 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 5.7 mt -60.45 -35.45 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -76.26 34.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 87' ' ' LEU . 1.4 t -171.1 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.2 m-20 -43.59 -71.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 17.3 t 65.42 21.15 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.39 -45.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.48 -25.46 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.554 ' CD2' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -83.65 -50.8 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 99' ' ' THR . 7.3 m -47.67 -45.09 27.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 2.0 m -56.88 -37.86 71.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 94' ' ' LEU . 6.7 mt -65.04 -61.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -38.95 -63.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.548 ' CG2' HD23 ' A' ' 119' ' ' LEU . 63.0 p -47.09 -48.56 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.672 ' CE2' ' O ' ' A' ' 160' ' ' MET . 25.2 t80 -63.62 -12.97 37.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.667 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 11.7 m-70 -97.4 21.48 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -155.36 135.71 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 69' ' ' PHE . 19.4 t -117.63 134.68 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.42 95.96 9.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.19 86.39 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.426 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -43.53 138.9 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.404 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 33.3 m -152.58 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.588 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 52.3 p -73.05 159.85 84.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.98 49.53 2.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.85 19.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.4 m120 -156.74 -52.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.7 -40.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 111' ' ' ASN . 13.8 p -38.8 149.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 113' ' ' VAL . . . 88.01 -172.41 41.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 m -62.45 127.67 32.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.363 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.487 ' CG ' HG13 ' A' ' 103' ' ' VAL . 3.4 tpm_? -140.4 126.68 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -69.09 125.27 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.494 ' CG2' HG12 ' A' ' 124' ' ' VAL . 18.0 p -99.5 177.78 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.448 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.548 HD23 ' CG2' ' A' ' 99' ' ' THR . 0.9 OUTLIER -54.95 -61.24 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.486 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -38.13 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.32 -21.77 21.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.489 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -66.84 -175.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.2 m -120.18 138.37 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.494 HG12 ' CG2' ' A' ' 118' ' ' THR . 7.2 p -112.22 118.85 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.2 m -80.38 79.11 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.43 HG12 ' CG2' ' A' ' 135' ' ' VAL . 38.9 t -64.33 158.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 m -147.63 169.99 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -179.85 145.03 6.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -140.47 -70.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -130.72 -136.66 4.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 132' ' ' SER . 32.2 m120 -69.96 62.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 3.4 p 162.17 103.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 133' ' ' LEU . 8.7 mp -96.41 169.52 9.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.78 159.37 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 137' ' ' ASN . 1.8 t -147.16 114.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.26 -80.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' VAL . 4.9 m120 -147.21 20.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -117.46 177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 0.4 OUTLIER -118.7 124.55 47.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.58 128.68 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.5 t -101.53 -46.14 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.5 t -156.1 100.53 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.37 164.14 12.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.39 23.33 58.82 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.492 HG11 ' CG2' ' A' ' 22' ' ' VAL . 1.6 t -90.66 52.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 22.8 m -40.84 124.59 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.495 HG22 ' CB ' ' A' ' 33' ' ' ALA . 1.8 p -90.24 -102.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -100.6 -64.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -134.82 27.59 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.526 ' HB2' ' CB ' ' A' ' 66' ' ' TYR . . . -154.88 149.77 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.58 HG23 ' CE2' ' A' ' 153' ' ' TYR . 44.0 m -86.17 175.99 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.0 OUTLIER -142.27 127.11 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 151' ' ' THR . 89.5 m-85 -135.28 90.48 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.482 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 3.8 mtm -62.72 138.89 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.48 ' O ' ' OG1' ' A' ' 72' ' ' THR . 9.4 pt -129.58 165.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 8.3 p-10 -108.98 43.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.432 ' N ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -169.59 135.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 159' ' ' LEU . 54.4 t -74.18 77.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.61 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.3 tp -37.37 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.672 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.1 mtt -144.93 146.85 32.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.416 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.01 142.78 28.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.06 171.08 19.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.29 173.0 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.28 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG22 ' CB ' ' A' ' 109' ' ' PRO . 34.7 m -133.07 139.15 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.33 152.92 9.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -43.28 -33.24 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.19 -31.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.18 -72.06 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -42.93 -52.0 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.3 t80 -44.23 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 14' ' ' ALA . . . -47.81 -48.44 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.9 -28.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -97.59 -37.8 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -130.37 84.73 58.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -109.62 -161.56 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.75 178.24 51.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.97 -10.57 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.552 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -78.56 -35.06 46.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -46.06 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 145' ' ' VAL . 25.5 t -64.32 -44.42 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -78.52 -35.04 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.71 -59.97 9.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.543 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 11.5 ptp -55.63 -22.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -60.13 -19.33 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -89.12 -18.88 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 67.4 m-20 -92.83 146.61 32.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.538 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.703 ' O ' ' C ' ' A' ' 31' ' ' ALA . 11.1 p 31.28 -121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.703 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.87 -72.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.538 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 74.1 t -30.11 -62.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.3 -64.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -49.38 -52.99 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 32' ' ' VAL . 40.2 t -46.48 -23.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.552 ' N ' HD21 ' A' ' 36' ' ' ASN . 0.7 OUTLIER -132.93 28.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.9 132.11 35.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 139.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 10.83 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.668 ' C ' HD21 ' A' ' 40' ' ' LEU . 2.2 mt-10 -119.47 -19.14 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.892 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.33 -4.91 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 82.8 p -34.92 -43.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.542 HG23 ' CD1' ' A' ' 76' ' ' PHE . 60.1 m -65.32 -52.16 55.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 3.7 tp -45.98 -61.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.519 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -45.61 -65.69 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -31.02 -42.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -63.62 -66.15 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HG ' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -60.09 -62.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.484 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 6.9 p -36.71 -49.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 124.29 -25.4 6.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -38.38 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.498 ' CD1' ' HG2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -85.59 -65.49 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.94 121.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.05 5.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -111.38 7.29 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 76.8 t -125.88 138.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.1 p30 -157.78 119.57 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.616 ' O ' ' C ' ' A' ' 58' ' ' VAL . 11.7 mt -128.82 -45.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -20.21 -80.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.529 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 1.7 m-20 -35.74 -56.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' LEU . 71.9 m -54.78 -62.19 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -42.18 -32.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 7.3 t-20 -92.15 54.35 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 t -122.54 -91.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -96.91 169.57 25.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -53.68 105.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 6.6 m-30 -111.19 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.538 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 42.0 m -152.75 90.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.602 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 5.1 t -52.97 141.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.6 m-85 -133.46 63.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HB1' ' CG1' ' A' ' 68' ' ' VAL . . . -100.26 131.9 23.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -137.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.716 ' HD3' ' ND1' ' A' ' 101' ' ' HIS . 18.2 Cg_endo -75.0 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.644 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 25.1 p -57.01 -160.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 3.8 p30 -77.7 -39.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.27 36.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.65 -68.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.715 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 62.7 m-85 -58.54 -27.39 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -65.28 -36.51 84.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -57.96 -61.47 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 ' CG1' ' A' ' 158' ' ' VAL . 25.0 mt -46.59 147.93 1.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.67 43.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -45.61 63.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.88 -52.62 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.31 -48.18 77.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.75 -48.91 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -17.35 26.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.21 -47.02 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 HD21 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -57.65 -18.76 22.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 12.8 mttm -90.06 18.51 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 t -170.29 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.434 ' ND2' HD21 ' A' ' 87' ' ' LEU . 95.2 m-20 -116.2 -73.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.471 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER 75.61 -56.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.6 p -90.05 46.33 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.04 -48.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -65.82 -38.42 88.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.424 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.3 m -54.0 -40.69 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -55.83 -39.36 71.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 98' ' ' LEU . 1.3 mt -66.56 -59.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' CD2' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -44.22 -63.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.495 ' OG1' ' CG ' ' A' ' 120' ' ' GLN . 67.6 p -46.04 -49.53 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.459 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.2 t80 -59.65 -20.24 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.716 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 25.3 m-70 -89.92 22.29 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.495 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 2.8 t -152.24 150.78 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.614 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 99.8 t -133.75 136.78 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 100.7 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.08 95.27 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.434 ' NE2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -51.5 140.48 17.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.457 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 7.0 m -153.81 150.75 28.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.3 p -85.48 161.84 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.438 ' CB ' HG22 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.01 46.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.29 20.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 112' ' ' VAL . 18.3 m120 -153.73 -52.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.37 -44.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 111' ' ' ASN . 42.9 t -42.68 124.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 135.04 -179.44 17.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 65.8 m -72.74 70.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' CB ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -71.12 176.52 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.44 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 24.2 tt0 -126.66 123.66 38.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.404 HG23 HG23 ' A' ' 103' ' ' VAL . 80.9 p -86.37 149.96 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.495 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -47.95 -28.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.495 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 16.6 tm0? -57.09 -51.0 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 141.71 -28.46 2.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.05 178.45 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.82 134.03 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.449 HG12 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -104.58 108.11 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.7 m -74.7 81.49 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.445 HG12 ' CG2' ' A' ' 135' ' ' VAL . 43.9 t -72.26 146.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.63 -177.14 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.28 159.8 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -149.09 -77.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.12 -153.77 20.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.63 67.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.18 91.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 133' ' ' LEU . 5.1 mp -95.11 157.14 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -127.47 161.4 28.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.49 HG11 ' CD1' ' A' ' 159' ' ' LEU . 1.4 t -150.48 94.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 79.67 -22.99 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 3.2 m-20 155.82 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.553 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -69.34 168.93 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' VAL . 11.8 m-20 -113.31 107.87 16.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.6 t -47.07 96.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.6 t -59.69 -47.12 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 42.4 t -162.18 108.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.237 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.82 173.82 16.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.63 19.86 79.74 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.483 HG12 ' CG1' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -90.46 50.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 43.1 m -39.1 118.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 2.3 p -81.23 -105.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.31 -68.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -130.8 46.42 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.541 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -178.97 137.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.721 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 94.4 m -70.26 168.19 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -133.92 128.3 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.721 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.8 m-85 -136.63 86.76 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.644 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.3 OUTLIER -63.2 138.62 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 157' ' ' SER . 1.5 pp -133.71 160.63 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -106.29 50.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.569 ' O ' HD12 ' A' ' 155' ' ' ILE . 0.9 OUTLIER -166.98 131.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.052 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 79' ' ' LEU . 78.1 t -75.07 70.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.49 ' CD1' HG11 ' A' ' 135' ' ' VAL . 30.4 mt -33.98 150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.689 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.1 mtt -142.29 145.03 33.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.48 24.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.01 67.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 162' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.03 124.78 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.771 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.95 176.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 m -119.36 121.73 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.26 152.38 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 -176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -41.32 -46.02 4.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -40.02 -30.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -73.63 -69.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -53.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' GLY . 68.2 t80 -48.18 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.52 -48.48 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.08 -32.56 15.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.54 -42.62 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -127.41 77.06 76.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p -121.64 173.34 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.41 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 104.85 -171.93 19.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.98 18.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -97.1 39.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 0.7 OUTLIER -115.25 -172.28 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 32.8 t -78.56 -48.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -20.61 29.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.29 -46.74 25.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.552 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 9.4 ptp -63.64 -9.99 16.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -43.15 78.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.51 -12.11 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.476 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 61.2 m-20 -100.12 143.71 27.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.94 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.695 ' O ' ' C ' ' A' ' 31' ' ' ALA . 13.8 p 31.21 -124.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -7.79 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 35' ' ' SER . 83.3 t -29.6 -61.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -31.14 -56.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.54 ' CA ' ' HB2' ' A' ' 40' ' ' LEU . . . -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -55.12 -17.61 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.479 HD21 ' N ' ' A' ' 36' ' ' ASN . 1.5 m-80 -97.47 -34.99 10.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 2.4 m-20 -60.94 131.38 91.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 174.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 8.07 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.675 ' C ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -120.07 -18.78 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.908 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.7 -10.26 16.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -39.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.582 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 5.2 t -70.7 -45.81 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -51.57 -68.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.565 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -46.53 -63.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.45 -41.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.2 -70.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -50.79 -60.87 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.532 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.12 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.9 -21.28 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.0 mt-30 -46.15 -22.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -112.42 -44.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -113.49 91.39 20.16 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -129.55 3.15 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 8.4 p -150.23 150.95 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -150.91 104.5 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 60' ' ' THR . 8.4 mp -104.55 -32.54 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.532 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 12.8 p -37.88 -57.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -46.86 -43.35 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.3 m -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.0 mt -34.14 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 60' ' ' THR . 0.8 OUTLIER -87.58 53.18 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -124.43 -88.85 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.48 -175.98 40.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 mp0 -76.02 105.93 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.538 ' HB2' ' HB3' ' A' ' 150' ' ' ALA . 15.4 m-30 -112.87 -168.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.524 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.67 92.85 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 43.7 t -51.72 138.08 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 7.5 m-85 -130.07 70.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -106.91 126.9 29.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -135.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.769 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.99 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.565 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 62.7 p -61.83 -159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -90.46 4.44 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.49 -1.96 20.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.55 -60.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.769 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 59.1 m-85 -55.78 -19.65 12.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -16.62 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.34 -48.02 62.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.47 151.77 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.51 36.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.76 -42.85 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 t -48.64 -42.01 32.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -47.03 66.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -62.67 -55.16 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -49.32 -24.77 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.0 tp10 -82.3 -47.11 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -53.77 -20.98 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' CD ' ' HA ' ' A' ' 85' ' ' ASP . 1.3 mtpm? -86.15 8.87 19.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' GLU . 73.1 p -144.45 13.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.489 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 1.1 m-20 -121.44 161.05 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.63 20.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.96 -45.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.053 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -29.79 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -82.17 -47.12 12.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.534 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -49.8 -45.73 50.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 11.3 p -49.71 -40.8 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.519 HG21 ' CD2' ' A' ' 101' ' ' HIS . 1.1 mt -67.42 -58.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -48.23 -56.54 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.7 p -49.11 -48.61 44.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.76 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.9 t80 -65.25 -11.58 42.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.68 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.0 m-70 -95.56 22.89 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -161.26 131.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.558 ' CG1' ' NH2' ' A' ' 116' ' ' ARG . 2.5 t -109.64 163.15 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -105.17 101.86 11.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 126.79 91.66 0.79 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -45.36 134.77 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.2 m -143.57 147.84 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.643 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 5.9 p -87.65 161.86 43.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HG3' ' HA3' ' A' ' 144' ' ' GLY . 18.2 Cg_endo -74.99 46.9 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.67 15.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 113' ' ' VAL . 79.6 m-20 -152.73 -53.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.643 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.33 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 111' ' ' ASN . 84.4 t -43.28 141.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.408 ' N ' HG11 ' A' ' 113' ' ' VAL . . . 119.46 -107.44 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 1.9 m -147.81 97.34 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.558 ' NH2' ' CG1' ' A' ' 103' ' ' VAL . 2.9 mmm180 -81.61 170.23 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -119.33 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.54 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 73.4 p -53.86 143.12 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.62 ' C ' ' CD2' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -50.89 -20.65 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.585 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -63.56 -51.07 66.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.27 -14.81 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.28 156.07 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.484 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 37.0 p -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.616 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -125.89 103.1 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.9 m -65.96 88.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 113' ' ' VAL . 15.8 t -85.33 149.19 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.67 170.32 15.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -166.25 135.37 3.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.14 -72.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -153.6 -44.26 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -149.5 46.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.81 87.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 133' ' ' LEU . 7.4 mp -82.11 168.01 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -129.31 163.64 25.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' ALA . 1.2 t -165.66 128.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 44.17 36.1 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 11.2 t-20 89.33 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -58.96 -179.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.83 121.21 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 91.0 t -58.13 111.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.478 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -79.3 -42.64 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.2 t -165.43 106.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.33 164.76 12.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.412 ' HA3' ' HG3' ' A' ' 109' ' ' PRO . . . 86.65 14.92 64.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.523 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.8 t -87.36 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 41.2 m -37.29 112.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.4 p -79.42 -101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.24 -83.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.81 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 66' ' ' TYR . . . 175.27 150.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.695 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 42.5 m -81.94 172.41 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.523 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.5 t -132.23 124.3 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.695 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 67.6 m-85 -135.51 81.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.565 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 11.8 mtm -58.28 147.0 32.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.5 167.13 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -103.5 32.48 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.7 OUTLIER -161.37 151.76 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.575 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 56.1 t -75.22 14.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 13.7 mt 51.43 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.76 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 84.1 139.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.06 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.36 160.59 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -115.62 -174.71 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 109' ' ' PRO . 6.7 m -120.62 127.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.37 154.62 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -174.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -64.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.18 -40.55 7.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -28.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.2 -74.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -52.93 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 40.2 t80 -37.82 -65.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.68 -46.71 7.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.58 -40.08 37.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.85 -48.2 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -121.45 86.27 43.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 p -128.24 146.89 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -165.99 25.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -27.44 10.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -89.26 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -122.19 177.19 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.484 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 42.8 t -68.68 -22.73 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -99.64 -46.49 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.52 -23.15 8.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.535 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 14.5 ptp -90.58 -13.04 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.435 ' HA ' ' C ' ' A' ' 147' ' ' THR . 30.7 t -76.52 -50.15 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.32 -22.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.93 166.52 10.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 18.4 Cg_endo -75.0 161.39 38.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.9 p -38.23 -31.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -66.64 -96.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 31' ' ' ALA . 17.4 t -37.5 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' MET . . . -40.44 -41.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -87.09 -34.23 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.6 t -57.07 -15.74 5.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -81.33 -40.5 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -68.9 134.03 90.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -170.053 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.03 3.67 5.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.486 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 2.8 mt-10 -117.68 -2.63 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 70' ' ' ALA . 68.6 mt -114.93 -29.77 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.5 -33.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.529 HG23 ' CD2' ' A' ' 76' ' ' PHE . 1.2 m -69.4 -54.15 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.514 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.95 -56.89 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.572 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 24.8 m -46.17 -56.06 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -44.14 -39.79 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' CA ' ' OD1' ' A' ' 52' ' ' ASN . . . -63.72 -69.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.572 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -48.16 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.516 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 2.5 t -43.29 -70.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.3 -21.1 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.5 mt-30 -45.38 -23.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.96 -45.05 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.534 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -113.25 90.8 17.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.99 22.62 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.48 3.06 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -149.95 145.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.0 p30 -145.85 93.5 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 60' ' ' THR . 7.0 mp -84.65 -19.81 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 3.5 t -40.53 -61.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.85 -35.88 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 57' ' ' LEU . 28.2 m -75.21 -65.95 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 19.1 mt -35.73 -34.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.534 ' ND2' ' HB2' ' A' ' 29' ' ' PRO . 12.7 m120 -88.11 48.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 2.5 t -107.01 -93.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.634 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.49 -175.54 15.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -48.43 104.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -110.5 -176.27 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.53 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 41.4 m -152.12 89.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 4.0 t -54.55 143.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 14.0 m-85 -133.25 62.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -97.29 128.62 34.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -137.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.8 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 115.12 4.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.5 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 9.1 p -65.75 -173.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.486 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -73.72 -3.81 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.01 -18.05 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -82.18 -55.21 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 64.8 m-85 -68.19 -34.62 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -55.63 -31.01 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' LEU . 10.8 mtpp -59.88 -72.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -38.69 157.56 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 139.91 24.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.56 -43.37 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -58.26 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -51.71 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.462 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.2 mm -57.14 -47.12 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.13 -14.13 33.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.13 -37.53 14.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' ND2' ' A' ' 90' ' ' ASN . 3.7 mt -68.52 -8.86 45.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.462 ' CE ' HG22 ' A' ' 84' ' ' ILE . 9.2 mtmt -94.02 28.54 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 90' ' ' ASN . 1.2 t -170.54 -40.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 89' ' ' THR . 92.8 m-20 -35.8 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' A' ' 91' ' ' SER . 0.1 OUTLIER 70.0 11.92 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 m -136.45 -44.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -26.06 20.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.491 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -80.2 -46.43 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.431 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.7 t -48.08 -47.29 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.487 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -51.3 -38.58 53.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -68.55 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.508 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 1.4 mt -41.45 -60.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.456 ' OG1' ' CG ' ' A' ' 120' ' ' GLN . 20.9 p -48.66 -47.69 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.663 ' CE2' ' O ' ' A' ' 160' ' ' MET . 8.8 t80 -64.66 -14.47 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.759 ' NE2' ' C ' ' A' ' 158' ' ' VAL . 8.2 m-70 -93.29 15.22 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.476 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 2.9 t -143.98 147.87 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.633 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 61.1 t -132.59 133.7 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 94.47 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 146.86 108.39 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.8 110.0 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 110.302 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.468 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 38.0 m -126.79 136.6 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.595 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 3.4 p -68.25 163.31 53.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CB ' HG23 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.96 46.33 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -148.94 17.61 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.9 m-80 -152.64 -50.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.595 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -32.27 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 111' ' ' ASN . 98.1 t -47.68 146.7 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.43 -112.0 2.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 51.1 m -151.41 108.01 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.451 ' NH2' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.8 -174.01 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.27 102.37 7.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 124' ' ' VAL . 43.7 p -63.06 140.74 58.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.476 ' CD2' ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -40.34 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -55.11 -59.56 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 148.58 -22.35 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.483 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -85.56 160.26 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.483 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 2.9 p -88.1 144.64 26.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 3.3 p -113.24 118.25 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -78.18 106.07 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.539 HG13 ' CG2' ' A' ' 135' ' ' VAL . 47.4 t -100.08 154.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.431 ' N ' HG12 ' A' ' 126' ' ' VAL . 2.4 m -146.44 168.57 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.411 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -173.66 140.58 5.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -138.99 -46.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -154.44 -137.98 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.01 56.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.5 77.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 133' ' ' LEU . 9.3 mp -72.77 173.4 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.93 158.83 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.539 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.4 t -156.91 116.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.572 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.39 41.81 32.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.0 t30 88.75 -36.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.457 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -55.73 173.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.81 120.92 37.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.28 92.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.5 t -62.32 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.4 t -143.24 105.57 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.15 161.43 12.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.44 21.81 46.68 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.489 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.9 t -93.97 55.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.3 m -44.43 134.67 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 6.6 p -93.8 -110.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -102.82 -40.77 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -156.36 42.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.533 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -174.02 136.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.698 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 85.7 m -75.11 170.34 16.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.489 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -136.69 127.45 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -137.02 86.47 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 46.0 mtm -67.15 115.94 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.613 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -105.54 178.17 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.451 ' O ' ' OG ' ' A' ' 157' ' ' SER . 10.5 p-10 -112.84 45.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.646 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -172.15 125.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.759 ' C ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -68.23 16.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.646 ' H ' ' C ' ' A' ' 157' ' ' SER . 37.9 mt 34.52 -158.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.663 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 171.46 143.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.487 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 136.78 20.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.06 74.74 3.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -151.01 -177.5 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CD1' ' SG ' ' A' ' 8' ' ' CYS . 3.8 mm? -107.56 170.08 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -137.81 6.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.4 151.59 17.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -169.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.98 -45.2 5.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -46.9 -39.55 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' PRO . . . -48.85 -57.05 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -75.17 -41.32 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.8 t80 -36.56 -65.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.89 -48.04 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.9 -39.07 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -85.88 -49.68 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -119.76 83.5 29.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -131.1 -161.54 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.51 -174.81 45.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.03 21.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -93.93 16.91 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.7 p -92.13 162.91 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.432 ' CG1' HG11 ' A' ' 145' ' ' VAL . 3.5 m -69.35 -12.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 26' ' ' SER . 5.3 tp60 -107.27 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -42.93 23.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.441 ' SD ' HG22 ' A' ' 147' ' ' THR . 17.3 ptp -64.75 -16.97 63.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 8.6 t -65.27 -57.86 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.6 -21.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -91.84 144.87 30.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.6 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.0 102.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 29' ' ' PRO . 2.3 p 24.05 -90.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.598 ' H ' ' CG1' ' A' ' 30' ' ' VAL . . . -23.63 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.53 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 60.8 t -37.83 -49.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -45.8 -49.51 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.476 ' CB ' HG23 ' A' ' 44' ' ' THR . 13.0 m -86.76 37.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -145.24 -43.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -48.71 134.11 13.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 173.372 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 3.32 5.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.95 -4.01 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 16.0 mt -113.5 -33.86 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' LEU . 2.1 p -32.39 -38.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.8 m -65.49 -57.22 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.66 -47.27 80.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.581 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -48.98 -52.52 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -45.24 -37.13 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.59 -69.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.581 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -48.66 -63.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.504 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 91.1 p -41.72 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 149.33 -21.16 1.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.72 -43.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -55.04 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -129.68 128.05 22.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 5.59 3.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -106.98 3.06 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.83 142.25 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.1 p30 -164.5 105.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -111.28 -23.72 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 22.0 t -34.8 -40.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.29 -57.08 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 76.0 m -56.78 -60.68 3.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.04 -34.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -91.38 55.2 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 t -172.98 109.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.04 144.27 10.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -61.88 110.32 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.3 m-30 -113.94 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.544 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 45.1 m -150.86 87.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 70' ' ' ALA . 76.9 t -51.09 134.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.606 ' CE2' HG21 ' A' ' 103' ' ' VAL . 9.1 m-85 -128.68 68.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.494 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -96.52 130.62 30.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -139.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.72 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 23.6 p -66.53 170.57 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.65 -23.17 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.63 -21.16 38.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.89 -46.92 22.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.72 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 50.4 m-85 -72.13 -39.64 68.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -57.72 -35.86 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.453 ' NZ ' ' OG ' ' A' ' 157' ' ' SER . 26.4 mtpt -52.42 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.7 mt -47.49 151.99 1.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 142.82 28.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.35 -46.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -56.3 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -47.66 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.5 mm -62.44 -59.37 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.73 -27.43 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 90' ' ' ASN . 7.9 tp10 -75.01 -46.13 37.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.455 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 5.0 mt -56.1 -19.69 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 20.1 mttt -90.91 10.19 27.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.0 t -144.37 13.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 7.2 m-20 -115.38 -150.47 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 95' ' ' THR . 15.7 t 179.16 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 t -71.93 -36.13 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.407 HD21 ' ND2' ' A' ' 90' ' ' ASN . 0.6 OUTLIER -69.05 -47.74 64.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 91' ' ' SER . 2.5 m -53.89 -52.61 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.563 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.5 OUTLIER -43.04 -40.09 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -67.45 -58.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.7 OUTLIER -47.96 -61.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 95' ' ' THR . 0.7 OUTLIER -47.31 -46.06 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 9.0 t80 -62.8 -19.63 64.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.687 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.5 m-70 -90.15 18.49 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -153.29 121.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.606 HG21 ' CE2' ' A' ' 69' ' ' PHE . 96.7 t -98.8 152.19 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.42 100.78 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.08 95.16 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.614 HE21 ' N ' ' A' ' 151' ' ' THR . 0.0 OUTLIER -53.63 145.02 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.564 ' CB ' ' NH2' ' A' ' 116' ' ' ARG . 1.3 m -166.6 144.53 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -74.62 166.01 48.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -75.0 51.39 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.52 -45.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 113' ' ' VAL . 44.6 m-20 -97.14 -33.05 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' ASN . 0.4 OUTLIER -38.16 -32.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.441 ' N ' ' C ' ' A' ' 111' ' ' ASN . 62.8 t -55.59 137.19 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 170.73 18.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 111.49 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.564 ' NH2' ' CB ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -105.39 171.86 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -104.48 93.62 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.534 ' CG2' ' HB ' ' A' ' 124' ' ' VAL . 4.9 p -58.17 161.01 4.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 102' ' ' VAL . 10.0 tt -58.84 -53.58 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.481 ' CA ' ' HB ' ' A' ' 99' ' ' THR . 25.7 tp60 -42.92 -22.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 112.43 -23.0 16.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.545 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -69.44 -171.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 15.6 m -119.48 148.39 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.534 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 6.5 p -122.53 107.66 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 57.8 m -74.88 85.49 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.479 ' C ' ' CG2' ' A' ' 127' ' ' THR . 9.4 t -76.05 155.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -153.22 -175.52 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.0 -100.31 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 76.7 74.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.461 ' O ' ' CD1' ' A' ' 133' ' ' LEU . . . 125.44 -143.13 14.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -75.66 123.28 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.55 109.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 130' ' ' GLY . 8.2 mp -111.56 169.98 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -137.07 155.77 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 138' ' ' ALA . 1.6 t -148.25 115.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.35 43.17 19.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 21.2 t30 87.54 -26.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 157' ' ' SER . . . -64.44 169.66 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.418 ' N ' ' OD2' ' A' ' 156' ' ' ASP . 0.2 OUTLIER -116.41 122.06 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.08 98.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.416 ' O ' ' HD2' ' A' ' 6' ' ' PRO . 3.4 t -71.8 -56.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 t -147.29 100.3 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.0 164.14 12.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.49 56.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.492 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.5 t -94.06 55.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 52.1 m -45.95 125.03 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 5.6 p -90.39 -105.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.69 -64.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -139.1 32.64 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.556 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -159.47 131.65 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.618 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 17.2 m -68.9 174.37 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.492 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.3 t -140.21 125.37 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.618 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 93.9 m-85 -137.04 88.86 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.522 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -67.96 109.76 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.642 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 1.1 pp -101.74 175.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 21.4 p-10 -115.75 52.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.499 ' HB2' ' CB ' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -175.0 126.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.522 ' O ' ' C ' ' A' ' 159' ' ' LEU . 37.4 t -71.8 69.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 158' ' ' VAL . 56.1 mt -30.04 144.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.653 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -133.53 146.81 62.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.563 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.02 82.61 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 65.8 117.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 46.86 -171.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 109' ' ' PRO . 7.5 p -130.73 160.64 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.37 156.61 32.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -43.17 -37.9 3.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.6 OUTLIER -44.56 -28.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -81.57 -73.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.68 -52.09 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ALA . 63.3 t80 -38.5 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.64 -55.01 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.83 -40.92 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.7 -48.04 15.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -122.5 79.87 46.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.01 -23.35 13.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -135.73 -167.99 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 91.02 -178.31 41.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.64 21.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -79.11 -21.33 46.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 80.2 p -55.16 165.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.484 ' CG1' HG11 ' A' ' 145' ' ' VAL . 11.6 t -65.25 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 20.1 tt0 -81.87 -49.86 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.0 -63.25 1.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.497 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 10.2 ptp -53.03 -21.86 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.1 p -67.08 -8.56 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -99.1 14.73 28.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.49 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 29.0 m-20 -135.46 152.64 76.84 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 98.03 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.711 ' O ' ' N ' ' A' ' 33' ' ' ALA . 7.3 p 29.17 -118.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -9.43 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 35' ' ' SER . 60.1 t -34.75 -60.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.711 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.15 -67.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.1 -29.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.606 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.4 p -78.15 44.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 35' ' ' SER . 30.5 m-80 -162.56 -37.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 5.6 m-20 -54.5 130.33 62.72 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 167.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.93 6.32 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.5 mm-40 -121.35 -9.4 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 12.1 mt -112.85 -20.31 11.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -45.33 -53.09 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 43' ' ' LEU . 12.9 t -54.55 -37.36 65.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.565 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.68 -42.64 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.556 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.4 m -50.43 -56.66 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.17 -36.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.06 -70.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.565 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.25 -61.3 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.519 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -44.34 -69.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 152.58 -20.87 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.496 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 25.5 mt-30 -37.02 -33.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -79.29 -50.84 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -137.03 131.23 17.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 6.4 3.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.33 3.64 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 94' ' ' LEU . 2.7 t -125.1 127.53 72.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 2.4 p30 -151.82 79.7 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -90.86 -6.19 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.519 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.4 t -59.69 -29.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -51.78 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' LEU . 2.7 m -62.97 -58.63 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 60' ' ' THR . 0.9 OUTLIER -34.07 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.442 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 9.2 t-20 -82.28 51.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -108.72 -93.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -110.93 176.24 18.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 15.6 mt-30 -48.95 106.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 11.1 m-30 -114.17 -171.94 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.516 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 22.9 m -150.05 86.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.486 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 53.7 t -51.22 134.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.594 ' CE2' HG21 ' A' ' 103' ' ' VAL . 8.4 m-85 -125.31 68.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -93.62 127.83 44.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -140.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.737 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.0 113.09 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 40.6 p -53.39 174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -65.24 -37.35 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.37 -14.35 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -76.06 -47.8 23.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 45.6 m-85 -70.4 -50.14 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -43.06 -52.76 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' NZ ' ' HA ' ' A' ' 157' ' ' SER . 3.8 mtmp? -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -47.08 146.48 2.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.99 141.68 26.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.4 -43.52 2.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.0 p -49.05 -43.55 40.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.59 -47.6 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.23 -45.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -17.53 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.36 -43.03 14.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.406 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.8 mt -58.68 -17.99 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 10.5 mttt -90.88 24.82 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.0 t -170.0 32.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 91' ' ' SER . 97.5 m-20 -115.18 -87.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 m 85.73 -4.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.49 -41.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -24.71 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -43.13 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -54.56 -52.65 61.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.581 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -45.92 -35.36 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -70.31 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -47.83 -56.92 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.565 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 17.0 p -48.75 -49.68 37.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.684 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.0 t80 -62.54 -16.29 55.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.691 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.7 m-70 -91.01 20.37 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.448 HG11 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -158.11 122.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.594 HG21 ' CE2' ' A' ' 69' ' ' PHE . 8.7 t -100.82 154.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.28 102.97 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 130.52 81.18 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.47 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -32.85 137.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.5 m -150.87 153.27 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.9 p -97.36 167.66 11.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.446 ' CB ' HG13 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 50.47 2.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -140.3 -46.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -100.42 -30.69 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.408 ' C ' HG12 ' A' ' 126' ' ' VAL . 9.9 p -45.45 -27.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -58.47 147.0 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.95 -176.85 23.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.8 m -75.59 93.62 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' CB ' HG21 ' A' ' 124' ' ' VAL . 6.0 mmp_? -81.93 175.78 10.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -122.89 96.56 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 100' ' ' TYR . 1.8 p -58.45 157.67 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.638 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.08 -20.89 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.565 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 33.5 tp60 -68.7 -15.63 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.91 1.77 56.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.56 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -98.76 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 m -106.7 151.07 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -124.1 109.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.8 m -67.99 65.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 135' ' ' VAL . 3.1 t -60.05 148.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.1 m -156.42 175.24 14.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.52 165.85 16.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.38 -48.54 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.78 -55.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -119.0 24.69 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.08 91.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.69 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.3 OUTLIER -96.99 147.44 23.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.7 mtpt -139.32 161.83 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.577 ' CG1' ' CD1' ' A' ' 159' ' ' LEU . 1.1 t -156.7 114.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.08 -51.96 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.542 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -175.96 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -64.3 165.46 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.427 ' OD2' ' CG ' ' A' ' 156' ' ' ASP . 7.0 m-20 -103.95 122.22 44.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.69 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 53.4 t -63.68 124.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.13 -54.55 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 36.9 t -152.69 109.11 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 159.52 13.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.36 20.07 46.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.484 HG11 ' CG1' ' A' ' 22' ' ' VAL . 2.0 t -89.28 58.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 46.7 m -45.0 127.81 6.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.502 HG23 ' CB ' ' A' ' 33' ' ' ALA . 3.5 p -92.43 -100.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.29 -62.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -135.28 38.22 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.488 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -170.27 145.88 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 146' ' ' SER . 22.9 m -80.39 178.38 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.459 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.4 t -143.45 127.2 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.547 ' CE2' HG21 ' A' ' 151' ' ' THR . 82.1 m-85 -134.81 90.51 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.4 mtm -61.26 142.47 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.538 HD12 ' CE1' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -135.97 169.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.8 p-10 -111.24 39.46 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.451 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -165.47 144.94 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.558 ' O ' ' C ' ' A' ' 159' ' ' LEU . 54.6 t -80.32 71.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.622 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 12.2 mt -26.38 137.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.684 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -128.89 146.29 59.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.581 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 136.11 20.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.56 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.0 59.73 5.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.46 1.768 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -133.99 81.21 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -103.01 -168.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 m -131.57 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.53 15.2 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 11' ' ' TYR . . . -54.72 -42.9 79.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -41.17 -57.59 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.52 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' ALA . 3.1 tt0 -43.81 -58.52 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' CZ ' ' HE1' ' A' ' 154' ' ' MET . 70.5 t80 -38.29 -60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.85 -42.26 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' GLU . . . -59.85 -45.13 93.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.46 -45.28 84.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 21' ' ' SER . 55.5 m-80 -125.02 74.39 66.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 18' ' ' GLY . 16.7 p -114.27 -19.85 11.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -46.51 175.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.28 11.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -79.67 1.41 26.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 1.3 m -79.23 177.58 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 145' ' ' VAL . 1.3 m -71.57 -37.87 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.16 -35.95 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.96 -29.03 71.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.425 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 21.6 ptp -94.89 -10.19 31.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -77.17 -10.26 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.49 -21.21 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.498 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . 2.2 m-20 -104.36 165.27 13.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.06 135.62 19.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.627 ' C ' ' O ' ' A' ' 29' ' ' PRO . 1.5 m -19.25 -52.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -43.23 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 28' ' ' ASP . 6.0 t -46.44 -40.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -47.1 -23.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.512 ' CB ' ' CG2' ' A' ' 44' ' ' THR . . . -105.56 -24.11 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.1 t -74.84 1.62 12.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.4 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 22.9 m-80 -113.31 -39.9 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CG2' ' A' ' 41' ' ' THR . 4.6 m-20 -52.92 130.01 48.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 4.72 4.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' C ' HD21 ' A' ' 40' ' ' LEU . 1.4 mm-40 -121.64 -4.52 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 70' ' ' ALA . 16.6 mt -114.24 -33.19 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 5.9 p -32.83 -39.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.4 m -66.84 -56.23 11.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.26 -53.38 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.512 ' CG2' ' CB ' ' A' ' 34' ' ' ALA . 7.4 p -46.41 -64.24 0.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -34.78 -40.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.16 -72.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -47.96 -60.23 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.476 ' HA ' HG11 ' A' ' 58' ' ' VAL . 3.0 p -37.66 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.577 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.03 -19.46 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.11 -55.24 18.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.444 ' CD2' ' HE2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -75.4 -46.64 31.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.577 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -110.56 95.44 22.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.99 15.75 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.6 mt-30 -128.75 5.36 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.577 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -122.41 178.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 8.2 p30 175.91 123.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 60' ' ' THR . 81.6 mt -136.7 -43.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.554 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.3 p -26.41 -70.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 58' ' ' VAL . 9.6 m-20 -36.14 -51.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.617 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.4 m -67.81 -62.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' CD2' HG22 ' A' ' 102' ' ' VAL . 85.0 mt -35.22 -36.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' THR . 1.5 m-20 -86.2 51.61 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 2.1 m -175.88 107.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.77 126.92 5.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 9.9 mt-30 -47.0 107.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 8.4 m-30 -114.97 179.47 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.497 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 4.0 m -144.97 87.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.446 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 18.3 t -53.72 127.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CE2' HG23 ' A' ' 103' ' ' VAL . 11.0 m-85 -116.36 66.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . . . -94.12 129.28 37.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -140.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.687 ' HD3' ' ND1' ' A' ' 101' ' ' HIS . 18.4 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 72.9 p -58.21 168.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -24.19 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.95 51.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -73.75 -47.23 40.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.681 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 34.9 m-85 -65.68 -38.74 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -43.62 67.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -44.25 -66.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.69 150.22 0.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.18 41.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -56.57 -56.38 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ALA . 8.4 m -38.09 -47.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.63 66.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.72 -44.22 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.63 43.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.34 -35.97 12.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . 4.5 mt -68.28 -15.33 63.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HE2' ' CD2' ' A' ' 51' ' ' LEU . 55.1 mttt -91.77 31.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 90' ' ' ASN . 5.0 t -171.97 -38.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 91' ' ' SER . 91.8 m-20 -38.36 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 2.2 t 88.63 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -105.62 29.7 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.94 -43.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.23 -42.9 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.9 OUTLIER -48.73 -46.81 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.576 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.0 OUTLIER -51.55 -41.88 61.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.441 HG13 ' HD3' ' A' ' 161' ' ' PRO . 2.0 mt -63.07 -61.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' O ' HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -46.74 -53.12 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.4 p -52.79 -50.15 64.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 160' ' ' MET . 7.6 t80 -63.85 -10.57 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.687 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 20.5 m-70 -95.83 22.29 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -157.22 132.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.581 HG23 ' CE2' ' A' ' 69' ' ' PHE . 5.7 t -113.14 166.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.44 111.86 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 155.82 -53.38 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.497 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.31 101.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.529 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 38.3 m -131.11 139.67 49.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.585 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.7 p -67.17 164.97 31.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 46.49 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -152.33 19.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.6 m-20 -153.05 -50.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.21 -40.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.55 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.2 t -38.98 154.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.94 -122.44 7.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 m -136.17 115.58 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.451 ' NH2' ' OG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -109.45 166.59 10.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -112.5 99.65 8.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.513 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 4.1 p -58.73 146.43 36.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.585 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -49.51 -26.23 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.577 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -60.87 -50.46 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.12 -19.29 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.595 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -83.18 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 67.6 m -97.1 157.21 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.509 HG11 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -126.59 106.82 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -74.98 88.94 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.504 ' C ' ' CG2' ' A' ' 127' ' ' THR . 31.9 t -83.95 148.05 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 1.2 p -153.83 -174.72 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 126.23 -111.73 1.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 72.01 80.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 131' ' ' ASN . . . 114.12 65.53 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 130' ' ' GLY . 1.6 m-80 61.2 143.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 t 63.59 97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 133' ' ' LEU . 8.6 mp -108.75 161.75 14.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -132.45 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.553 ' CG1' HD22 ' A' ' 159' ' ' LEU . 1.2 t -151.33 112.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.92 -54.76 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 135' ' ' VAL . 2.7 t30 -168.01 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 157' ' ' SER . . . -61.63 170.24 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.53 123.51 47.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.55 134.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.9 -47.22 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.9 t -154.96 99.46 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.09 173.52 16.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.14 16.1 80.94 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.501 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.8 t -83.21 52.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 69.1 m -39.59 132.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.523 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.6 p -103.18 -109.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.68 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.428 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -121.59 37.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.499 ' HB1' ' CG1' ' A' ' 30' ' ' VAL . . . -170.94 164.47 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.535 HG23 ' CE2' ' A' ' 153' ' ' TYR . 19.8 m -100.8 -178.01 3.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.501 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -145.57 128.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.535 ' CE2' HG23 ' A' ' 151' ' ' THR . 73.7 m-85 -137.88 90.13 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.516 ' HE1' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -62.36 138.78 58.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' A' ' 101' ' ' HIS . 8.5 pt -130.42 165.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' A' ' 157' ' ' SER . 19.7 p-10 -110.24 45.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.455 ' HB2' ' CB ' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -172.54 133.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 159' ' ' LEU . 71.1 t -75.33 80.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.606 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -38.37 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 7.3 mtp -148.27 146.7 23.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.576 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 127.24 10.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.759 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.595 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -75.02 107.35 2.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.81 175.97 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 22' ' ' VAL . 3.4 mt -56.63 -172.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 133' ' ' LEU . 7.8 p -124.13 173.95 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.38 151.07 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -75.04 -66.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -39.52 -45.16 2.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.51 -40.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -56.9 -50.18 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.3 t80 -35.74 -65.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.3 -58.0 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' ALA . . . -39.5 -43.69 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -51.25 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -122.35 81.53 45.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.94 -24.74 12.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -133.53 -159.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 81.31 175.22 49.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -81.55 -44.26 17.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -49.92 178.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG2' HG11 ' A' ' 145' ' ' VAL . 65.1 t -62.89 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.22 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -62.04 -63.24 4.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 16.9 ptp -59.99 -11.98 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 1.4 t -66.08 -49.91 65.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.27 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.88 155.29 41.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.06 148.93 35.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.616 ' CG2' ' HB3' ' A' ' 150' ' ' ALA . 3.5 p -26.96 -50.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -48.34 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -45.13 -44.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 25' ' ' MET . . . -45.99 -38.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -91.0 -26.74 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -4.09 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -100.32 -46.49 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.532 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -46.53 132.31 8.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -174.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.97 2.07 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 72' ' ' THR . 2.2 mm-40 -122.08 -2.77 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 16.5 mt -114.2 -32.8 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -35.04 -42.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.512 HG22 ' CD1' ' A' ' 76' ' ' PHE . 6.1 t -60.92 -53.45 57.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 42' ' ' THR . 0.0 OUTLIER -60.19 -41.1 92.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.498 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 16.9 m -49.8 -62.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.13 -38.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' CB ' HD23 ' A' ' 98' ' ' LEU . . . -66.42 -69.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.498 ' HG ' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -54.85 -59.37 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.521 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 5.9 p -38.64 -61.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 139.03 -23.22 2.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 mt-30 -38.61 -45.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' CD1' ' HG2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -61.17 -61.07 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 0.5 OUTLIER -123.27 130.59 24.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 4.91 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -108.66 1.06 20.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.91 146.56 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -168.41 92.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 60' ' ' THR . 9.3 mp -100.72 -37.27 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 6.2 p -31.95 -58.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.75 -52.7 22.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.3 m -61.84 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.535 ' C ' ' O ' ' A' ' 60' ' ' THR . 15.4 mt -30.0 -44.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' THR . 8.0 t-20 -81.8 53.36 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' THR . 67.7 m -166.66 109.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 85.42 131.46 2.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -44.14 108.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.802 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.6 m-30 -114.84 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.531 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 80.1 m -153.87 89.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.592 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 5.3 t -53.65 144.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CE2' HG22 ' A' ' 103' ' ' VAL . 6.8 m-85 -132.26 63.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' CB ' HG13 ' A' ' 68' ' ' VAL . . . -97.59 131.18 27.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -135.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.728 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.98 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 155' ' ' ILE . 36.6 p -60.43 177.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 10.4 m120 -61.66 -42.01 98.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.07 -18.34 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -75.98 -46.98 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 42.5 m-85 -75.13 -45.82 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -43.99 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 3.6 mtmp? -44.87 -61.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.9 mt -45.87 145.9 2.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.78 -50.19 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.94 -51.45 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.963 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -47.8 81.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.02 -51.85 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -21.18 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 7.7 tp10 -80.88 -41.76 22.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.6 mt -61.39 -24.86 66.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 24.8 mttt -84.02 9.45 12.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 p -139.71 10.09 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 19.0 m-20 -109.96 -154.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.446 ' O ' ' OG1' ' A' ' 95' ' ' THR . 12.8 p 173.64 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -37.58 7.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.042 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -38.62 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.54 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.73 -42.67 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.464 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.5 m -54.04 -53.09 57.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.462 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -44.62 -40.61 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.484 HG22 ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -64.26 -64.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.54 ' CD2' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.79 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.641 ' O ' ' CD2' ' A' ' 119' ' ' LEU . 6.8 p -48.85 -52.4 24.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.734 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -56.73 -17.7 9.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.693 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.4 m-70 -93.66 26.27 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -148.14 159.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.565 HG22 ' CE2' ' A' ' 69' ' ' PHE . 3.0 t -143.34 134.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.47 105.29 17.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.47 91.27 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -44.85 126.62 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.467 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 55.9 m -136.86 143.51 43.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 p -81.44 161.7 61.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 51.58 2.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -140.71 -45.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 113' ' ' VAL . 24.8 m-20 -96.33 -30.52 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.94 -24.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 127' ' ' THR . 11.0 p -67.0 145.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.09 -110.45 2.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.6 m -136.65 104.6 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 116' ' ' ARG . 3.2 mmp_? -100.34 165.54 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -109.13 114.36 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.499 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 23.1 p -75.31 151.86 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.641 ' CD2' ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -62.62 -11.29 16.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 120' ' ' GLN . 8.8 tp60 -73.91 -34.26 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.11 -17.01 8.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 118' ' ' THR . . . -90.44 173.06 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 m -104.33 142.75 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.402 ' O ' HG22 ' A' ' 126' ' ' VAL . 2.2 p -116.44 109.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -73.08 99.15 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.496 ' C ' ' CG2' ' A' ' 127' ' ' THR . 17.1 t -91.44 158.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -153.8 177.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 142.47 -121.81 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 57.85 70.61 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.39 73.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.1 m120 42.3 44.76 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 t -171.94 145.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 4' ' ' VAL . 5.8 mt -148.05 123.34 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -125.12 156.45 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.485 ' CG1' HD22 ' A' ' 159' ' ' LEU . 8.8 t -138.25 102.19 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.06 -49.99 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -167.6 -37.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.518 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -61.86 174.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.33 112.52 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 21.7 t -52.2 98.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.5 t -64.69 -57.83 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.437 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 13.1 t -144.31 107.38 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.527 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.93 160.98 12.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.03 16.62 55.71 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.503 HG11 ' CG2' ' A' ' 22' ' ' VAL . 1.8 t -87.62 64.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.56 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.1 m -57.28 123.78 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 10.8 p -81.8 -107.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -105.5 -40.78 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -156.28 37.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.616 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -168.63 134.22 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.674 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 53.4 m -78.58 170.05 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.422 ' N ' HG23 ' A' ' 151' ' ' THR . 1.1 t -140.12 129.28 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.674 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 86.4 m-85 -133.13 85.82 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -59.54 141.47 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.518 ' HB ' ' CB ' ' A' ' 138' ' ' ALA . 1.2 pp -136.68 169.97 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.471 ' O ' ' OG ' ' A' ' 157' ' ' SER . 8.6 p-10 -113.26 52.56 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 0.9 OUTLIER -173.13 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' A' ' 159' ' ' LEU . 55.3 t -74.52 69.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.627 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -33.41 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.734 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.5 mtt -136.71 146.01 53.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.462 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 123.51 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.49 5.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.3 164.13 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.6 mm? -113.14 -179.62 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 m -118.3 136.13 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.45 152.59 9.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -45.58 -42.62 10.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -43.84 -28.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -69.7 -65.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.14 -50.99 69.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 72.4 t80 -37.88 -66.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.57 -48.96 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.01 -43.73 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.36 -49.88 30.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -118.09 82.22 17.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.09 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 -162.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.451 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.08 -177.64 54.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -11.7 21.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -91.47 28.66 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' MET . 86.0 p -111.99 178.62 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG2' ' CG1' ' A' ' 145' ' ' VAL . 37.1 t -74.31 -43.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 18.7 pt20 -84.79 -49.69 8.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 23' ' ' GLN . . . -46.88 -38.61 10.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.523 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.5 ptp -79.58 -20.11 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -60.39 -32.79 71.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.01 -0.49 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.2 m-20 -111.22 144.68 30.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.02 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.694 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.1 p 31.52 -120.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.54 -71.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.9 t -34.04 -61.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.689 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -39.36 -67.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' CB ' HD12 ' A' ' 40' ' ' LEU . . . -50.1 -29.62 9.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.5 p -77.61 44.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -163.92 -38.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 3.7 m-20 -51.42 131.34 34.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 170.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.94 3.93 5.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.443 1.759 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -119.97 -7.5 9.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 36.3 mt -110.76 -31.07 7.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' LEU . 2.4 p -35.17 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.435 HG23 ' CD2' ' A' ' 76' ' ' PHE . 42.5 m -64.59 -55.63 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.97 -42.44 98.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 51.9 m -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.7 -35.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' CB ' HD21 ' A' ' 98' ' ' LEU . . . -67.51 -69.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -52.59 -59.8 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.497 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 3.0 p -37.93 -60.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 135.82 -19.63 3.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.04 -50.98 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 HD12 ' CG ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -59.97 -64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.553 HD22 ' N ' ' A' ' 89' ' ' THR . 0.5 OUTLIER -112.07 126.31 28.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 3.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -112.8 5.73 17.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 98' ' ' LEU . 38.7 t -117.89 147.42 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -170.7 94.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.5 mm? -94.76 -48.77 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -24.7 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.526 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 1.3 t70 -32.86 -50.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.595 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.8 m -63.8 -72.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.452 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.657 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 16.3 mt -38.11 -36.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -80.43 49.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -136.07 -82.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.574 ' O ' ' CD2' ' A' ' 66' ' ' TYR . . . -96.62 173.61 29.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -64.44 133.44 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.279 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 59.6 m-85 -139.18 177.63 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.491 ' CG2' ' HE2' ' A' ' 153' ' ' TYR . 19.5 m -142.95 87.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -52.4 129.41 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.523 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 13.8 m-85 -120.1 71.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -99.13 125.22 42.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -136.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.809 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 20.7 p -52.89 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -9.0 59.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.62 -14.68 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.506 ' CB ' ' N ' ' A' ' 157' ' ' SER . . . -74.22 -32.15 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.809 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.4 m-85 -85.62 -37.57 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 t -59.51 -26.83 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -53.71 -45.98 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 158' ' ' VAL . 14.5 mt -68.42 157.02 89.13 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.56 26.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.57 -35.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -52.49 57.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -45.8 90.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.477 HG21 ' CE ' ' A' ' 88' ' ' LYS . 36.1 mm -63.28 -46.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -12.67 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.88 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.421 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.2 mt -58.93 -19.69 44.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CG ' HD12 ' A' ' 51' ' ' LEU . 12.4 mttt -89.97 25.79 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.553 ' N ' HD22 ' A' ' 52' ' ' ASN . 9.1 t -174.16 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 91.6 m-20 -119.92 -75.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.416 ' CB ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER 73.64 6.02 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.73 -57.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.944 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.75 -17.55 59.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.534 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -87.03 -51.33 6.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.453 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 3.0 m -49.75 -45.97 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.475 ' HB2' ' CG ' ' A' ' 161' ' ' PRO . 85.6 p -49.53 -44.64 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.52 HG23 ' CD2' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -63.86 -60.84 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.534 ' CD1' HD11 ' A' ' 94' ' ' LEU . 1.4 mt -42.21 -62.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.484 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 4.7 p -49.26 -45.25 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.658 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.2 t80 -66.98 -7.4 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.679 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.3 m-70 -103.1 22.44 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -158.08 115.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.471 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 89.4 t -99.58 124.73 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 66' ' ' TYR . . . -80.66 114.68 19.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 156.51 -49.0 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 81.4 119.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.501 ' CG2' ' NH2' ' A' ' 116' ' ' ARG . 20.2 m -148.96 143.11 25.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.556 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 60.2 p -74.13 163.04 71.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -74.98 48.1 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.61 19.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.565 ' O ' ' C ' ' A' ' 112' ' ' VAL . 23.6 m-20 -154.46 -51.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.565 ' C ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -27.22 -45.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 111' ' ' ASN . 6.8 p -40.07 145.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.07 -112.97 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.4 m -152.99 102.65 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.501 ' NH2' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -95.07 -168.55 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.67 104.73 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 43.0 p -59.76 167.71 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.475 ' CD2' HG12 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -67.1 -25.52 66.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.2 tp60 -60.65 -19.82 59.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.15 -6.91 54.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.491 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -92.32 156.51 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.0 m -86.98 140.46 29.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 p -113.77 105.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.8 m -70.23 114.81 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.483 ' C ' ' CG2' ' A' ' 127' ' ' THR . 3.5 t -109.37 146.43 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.483 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -154.12 168.67 25.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 157.95 -152.12 23.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 1.2 pt20 161.39 -36.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.462 ' O ' ' CD1' ' A' ' 133' ' ' LEU . . . -146.7 -146.16 4.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' SER . 36.0 m120 -71.03 70.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER 164.06 79.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 130' ' ' GLY . 10.2 mp -95.3 159.49 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -135.61 157.15 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.5 ' O ' ' CD1' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -151.09 100.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 80.84 -27.61 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER 156.64 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -71.99 169.35 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.4 115.5 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 154' ' ' MET . 39.9 t -53.49 111.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 155' ' ' ILE . 2.1 t -78.87 -45.72 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.29 104.1 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.574 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.76 166.0 12.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.1 16.44 67.26 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.498 ' CG1' ' CG2' ' A' ' 22' ' ' VAL . 1.6 t -84.17 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.6 m -40.96 124.08 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.538 ' CG2' ' CB ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -91.56 -96.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.137 . . . . 0.0 110.407 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -111.75 -78.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -116.73 24.54 11.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -156.15 155.91 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.57 HG22 ' CE2' ' A' ' 153' ' ' TYR . 25.5 m -93.64 178.74 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.483 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.3 t -143.74 126.95 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.574 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 87.6 m-85 -135.27 86.27 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.542 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -55.71 147.67 18.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 72' ' ' THR . 0.5 OUTLIER -141.49 -171.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.71 29.99 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 159' ' ' LEU . 19.4 m -160.86 139.27 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 159' ' ' LEU . 0.8 OUTLIER -76.12 23.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.629 ' O ' ' O ' ' A' ' 158' ' ' VAL . 1.2 mp 32.95 -159.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.658 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 170.4 139.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.475 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.04 130.17 12.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -74.98 94.62 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -89.38 62.8 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mp -97.83 -172.53 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.66 135.25 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.228 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.94 151.49 7.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 176.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -75.02 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -42.48 -49.65 5.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.93 -36.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' PRO . . . -58.88 -75.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -56.23 -51.69 67.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' ALA . 73.7 t80 -35.83 -64.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.77 -44.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -49.4 -50.98 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.71 -50.77 48.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -116.65 84.67 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -120.53 151.36 39.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.525 ' N ' ' HG ' ' A' ' 21' ' ' SER . . . 129.6 -166.87 21.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' OH ' ' A' ' 11' ' ' TYR . . . -52.01 -23.01 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' A' ' 18' ' ' GLY . 4.4 m -61.14 171.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG1' HG12 ' A' ' 145' ' ' VAL . 15.5 m -92.67 50.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -167.16 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -30.03 7.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.503 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 14.2 ptp -67.87 -10.99 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.411 ' HA ' ' C ' ' A' ' 147' ' ' THR . 12.5 t -61.26 -54.28 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.63 -20.08 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -94.13 137.99 22.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.0 100.49 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.654 ' O ' ' C ' ' A' ' 31' ' ' ALA . 2.4 p 29.42 -106.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.654 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -16.46 -75.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 94.9 t -36.28 -61.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.96 -68.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.94 -29.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -81.5 46.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -154.64 -44.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 1.7 t-20 -55.36 134.73 69.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.11 3.83 5.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' C ' ' ND2' ' A' ' 73' ' ' ASN . 1.7 mm-40 -122.09 -5.12 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 54.6 mt -112.35 -28.91 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.65 -35.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -51.49 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.97 -54.04 40.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 2.0 m -45.48 -56.1 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.66 -40.23 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' OD1' ' A' ' 52' ' ' ASN . . . -64.53 -71.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -47.39 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.527 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -44.04 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.09 -20.59 1.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -47.0 -22.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -110.62 -44.48 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.623 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -111.78 95.93 30.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 12.3 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 52' ' ' ASN . 6.8 mt-30 -120.89 -3.4 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.623 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -123.44 176.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.8 p30 177.77 103.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.632 ' O ' ' C ' ' A' ' 58' ' ' VAL . 4.3 mm? -102.56 -45.75 4.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.632 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -20.17 -74.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -34.55 -58.79 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.4 m -57.82 -53.36 59.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 102' ' ' VAL . 10.0 mt -40.72 -44.79 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.95 49.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' THR . 28.9 m -110.92 -91.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.19 178.62 19.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.1 mt-30 -54.63 106.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -113.3 -177.95 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.524 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.94 89.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.083 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.01 132.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.6 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.3 m-85 -122.9 74.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -103.83 124.24 38.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -137.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.846 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.05 122.21 7.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 71' ' ' PRO . 8.8 p -53.58 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -85.61 -7.17 58.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.7 -13.64 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -73.96 -29.07 61.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 37.8 m-85 -91.46 -42.52 10.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -51.29 -23.17 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmp? -63.98 -31.33 72.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 mt -78.83 153.54 77.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 136.77 20.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.76 -49.13 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 t -41.03 -50.79 3.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -51.54 69.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 86' ' ' GLU . 35.7 mm -58.72 -53.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -48.83 -22.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 89' ' ' THR . 6.0 tp10 -88.68 -40.19 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.476 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.2 mt -65.6 -11.72 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 85' ' ' ASP . 3.2 mtmp? -94.45 32.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 86' ' ' GLU . 2.8 t -164.48 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 6.7 m-20 -60.39 172.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 p -158.6 24.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.22 -46.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -28.36 55.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.506 ' CD2' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -89.05 -55.25 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -43.74 -35.88 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -61.94 -41.13 97.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.508 HG13 ' CD ' ' A' ' 161' ' ' PRO . 3.5 mt -67.66 -50.4 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 94' ' ' LEU . 1.5 mt -49.6 -64.87 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.5 p -48.02 -50.11 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.722 ' CE2' ' O ' ' A' ' 160' ' ' MET . 24.0 t80 -57.76 -19.4 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.717 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 33.4 m-70 -91.27 22.25 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -159.59 124.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.6 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 14.8 t -108.23 148.03 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.17 95.68 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.05 105.5 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.44 113.93 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 5.7 m -122.54 151.01 41.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.622 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 54.1 p -88.71 161.28 42.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.98 47.98 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -156.19 21.77 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.544 ' O ' ' N ' ' A' ' 113' ' ' VAL . 47.9 m-20 -155.69 -50.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.07 -39.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.2 t -37.9 141.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 113' ' ' VAL . . . 104.06 -167.31 15.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 91.4 m -76.24 111.57 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.568 ' NE ' ' CG1' ' A' ' 103' ' ' VAL . 5.8 tpm_? -115.78 121.41 42.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.52 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 4.5 tt0 -79.94 113.71 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.519 ' CG2' HG11 ' A' ' 124' ' ' VAL . 5.1 p -85.75 174.33 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 102' ' ' VAL . 10.6 mt -53.94 -57.65 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -38.18 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.92 -29.41 8.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -63.79 172.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.3 129.58 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.519 HG11 ' CG2' ' A' ' 118' ' ' THR . 9.1 p -103.98 119.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.2 m -79.03 109.92 13.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.507 ' C ' ' CG2' ' A' ' 127' ' ' THR . 42.3 t -102.26 148.14 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -155.16 178.66 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.47 176.08 14.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -147.27 -62.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -119.7 -119.47 2.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -78.42 57.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.65 111.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.483 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 10.3 mp -127.58 158.19 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -134.17 161.03 36.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.477 HG12 ' CG2' ' A' ' 124' ' ' VAL . 1.8 t -158.65 120.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.63 44.0 6.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.9 t30 88.16 -36.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -53.55 171.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.66 115.13 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 75.3 t -57.92 118.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.1 t -92.56 -40.97 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.8 t -163.24 103.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.5 164.0 12.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.79 21.29 56.26 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.519 HG12 ' CG1' ' A' ' 22' ' ' VAL . 2.2 t -90.98 52.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.54 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 71.6 m -44.76 133.28 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.55 HG21 ' CB ' ' A' ' 33' ' ' ALA . 1.7 p -97.9 -101.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . . . -101.93 -62.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -138.08 23.07 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.511 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -148.01 142.58 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.696 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 43.2 m -84.47 172.61 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.469 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.3 t -138.55 128.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.696 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 78.8 m-85 -136.41 87.09 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.514 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.9 mtm -56.71 142.1 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 157' ' ' SER . 2.0 pt -137.02 173.97 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.6 p-10 -110.62 36.14 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.7 OUTLIER -170.53 143.92 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.679 ' O ' ' N ' ' A' ' 160' ' ' MET . 4.2 m -76.09 37.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER 34.43 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.722 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 14.1 mtp 86.08 138.82 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.508 ' CD ' HG13 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 115.68 4.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.8 17.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.83 56.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -91.54 -171.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.05 165.05 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.37 156.18 32.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.98 -36.79 5.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -42.28 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -75.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -40.98 -53.51 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 64.9 t80 -43.76 -62.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.33 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -62.2 -43.54 98.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 -48.87 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -117.04 83.7 15.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.1 p -147.39 114.73 6.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.27 -149.85 7.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.52 5.29 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -87.11 -105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ALA . 86.9 p 39.99 -162.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG2' HG11 ' A' ' 145' ' ' VAL . 51.2 t -93.13 -25.08 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -96.72 -30.67 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.38 -23.17 59.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 145' ' ' VAL . 15.8 ptp -96.7 -13.23 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -66.59 -74.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.996 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.5 mt-30 -38.21 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' SER . 67.7 m-20 -95.39 152.29 39.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.04 157.96 42.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.648 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 1.9 p -29.95 -43.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -56.23 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' HA ' ' CB ' ' A' ' 35' ' ' SER . 94.3 t -38.7 -39.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.545 ' HB2' ' CG2' ' A' ' 147' ' ' THR . . . -44.21 -46.7 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.24 -25.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.09 -0.98 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -107.14 -38.51 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 41' ' ' THR . 3.5 m-20 -59.2 131.02 87.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 1.93 7.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -115.96 -3.74 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 12.0 mt -119.9 -32.73 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 1.5 p -33.41 -37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -67.64 -56.91 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.62 -54.0 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.62 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 52.1 m -44.96 -62.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.2 -42.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.52 -72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.62 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -45.08 -64.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.508 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 1.3 p -37.25 -55.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.98 -22.21 3.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -44.09 -50.64 8.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.403 ' HG ' ' HG2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -74.22 -48.86 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.558 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.53 99.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 11.84 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.485 ' CB ' ' CB ' ' A' ' 91' ' ' SER . 4.0 mt-30 -114.05 1.33 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.558 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 5.2 p -147.12 145.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.486 ' CG ' ' O ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -145.31 124.51 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.577 ' O ' ' C ' ' A' ' 58' ' ' VAL . 44.1 mt -111.07 -30.44 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.577 ' C ' ' O ' ' A' ' 57' ' ' LEU . 32.1 t -24.61 -66.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -46.88 -63.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' LEU . 84.8 m -52.16 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.546 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -39.0 -41.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -86.74 52.82 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 m -168.79 110.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.76 143.04 6.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.1 OUTLIER -58.96 117.84 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 5.6 m-30 -116.02 -174.02 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.517 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 45.3 m -152.88 85.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.648 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 13.5 t -51.3 138.16 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.622 ' CE2' HG23 ' A' ' 103' ' ' VAL . 10.0 m-85 -127.07 64.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.48 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -95.47 130.23 32.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -135.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.726 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.01 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 30.3 p -57.73 172.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.06 -30.35 66.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.48 -20.98 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.28 -41.67 56.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.726 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 43.9 m-85 -78.82 -50.26 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -44.67 -25.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 76' ' ' PHE . 3.4 mtmp? -61.89 -58.15 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.08 152.23 14.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.86 36.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.86 53.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -47.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 88' ' ' LYS . 42.1 mm -55.79 -55.9 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.95 -18.75 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 89' ' ' THR . 0.4 OUTLIER -86.21 -44.43 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 87' ' ' LEU . 4.9 mt -63.23 -22.56 66.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -88.88 34.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' GLU . 2.0 t -171.67 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.41 ' ND2' HD21 ' A' ' 87' ' ' LEU . 91.3 m-20 -43.0 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER 68.33 13.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -43.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.52 -27.74 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 HD22 HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -78.27 -48.79 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' A' ' 96' ' ' SER . 3.0 t -40.53 -45.73 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.492 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.9 -48.43 78.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 98' ' ' LEU . 1.2 mt -56.84 -57.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 102' ' ' VAL . 0.9 OUTLIER -50.35 -64.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.484 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.4 p -46.75 -43.33 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.65 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.2 t80 -68.53 -15.09 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.71 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 13.7 m-70 -95.19 19.15 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -156.09 115.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.622 HG23 ' CE2' ' A' ' 69' ' ' PHE . 56.9 t -92.95 146.03 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -93.02 103.64 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.94 99.84 0.89 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 3.4 mt-30 -57.73 156.43 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.713 ' HG1' ' NH2' ' A' ' 116' ' ' ARG . 54.7 m -152.58 -102.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.8 OUTLIER 162.54 162.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 54.07 3.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.47 -45.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.43 ' C ' ' N ' ' A' ' 113' ' ' VAL . 4.3 m-20 -99.8 -37.56 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -42.53 -28.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.43 ' N ' ' C ' ' A' ' 111' ' ' ASN . 17.9 t -50.09 156.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.87 -172.81 54.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 45.6 m -59.49 140.76 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.367 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.713 ' NH2' ' HG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -149.54 122.73 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.416 ' O ' HG11 ' A' ' 103' ' ' VAL . 30.1 tt0 -71.22 126.8 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.424 ' CG2' HG13 ' A' ' 124' ' ' VAL . 77.6 p -88.21 171.92 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -65.35 -26.27 67.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.3 tp60 -72.19 -6.58 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.14 -40.48 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -54.83 -173.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 p -125.13 148.31 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 116' ' ' ARG . 3.7 p -119.19 128.39 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.3 m -83.43 97.45 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.455 ' CG1' HG23 ' A' ' 135' ' ' VAL . 3.0 t -92.28 150.43 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -149.54 173.99 13.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -164.49 139.91 6.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -170.39 62.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.283 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 107.4 -169.59 14.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.86 66.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 0.79 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.19 65.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.614 ' HB2' ' CG2' ' A' ' 140' ' ' VAL . 4.2 mt -59.52 177.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 127' ' ' THR . 0.1 OUTLIER -135.04 159.07 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.552 ' O ' ' C ' ' A' ' 136' ' ' GLY . 2.1 t -161.1 131.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 22.99 77.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.7 m120 44.24 54.54 6.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' VAL . . . -149.09 164.17 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 8.5 m-20 -115.22 117.68 31.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 133' ' ' LEU . 74.0 t -61.78 109.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.409 ' CG2' HG23 ' A' ' 72' ' ' THR . 2.6 t -79.37 -53.99 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.0 t -151.54 105.78 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.54 165.35 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.53 23.02 57.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.49 HG11 ' CG2' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -94.39 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 34.2 m -49.68 135.23 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.545 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 17.1 p -93.64 -116.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -96.0 -32.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -167.3 42.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.562 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -171.22 132.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.691 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 52.8 m -73.6 168.37 19.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 1.3 t -137.86 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.691 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.4 m-85 -137.52 87.69 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.489 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -61.09 138.71 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 157' ' ' SER . 1.3 pp -136.37 165.68 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.467 ' O ' ' OG ' ' A' ' 157' ' ' SER . 22.7 p-10 -109.71 52.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.512 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 3.8 m -171.38 128.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 159' ' ' LEU . 69.0 t -73.91 78.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.71 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 2.5 mp -39.05 158.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.65 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.1 mtt -146.75 143.49 18.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.492 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 119.95 5.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.03 179.32 6.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -154.84 69.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -101.2 -178.89 3.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.53 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -121.77 111.56 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.89 153.5 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -43.37 -48.95 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.41 -30.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -71.07 -69.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.47 -55.53 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' GLY . 57.2 t80 -43.33 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -44.82 -58.03 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.78 -28.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -92.11 -39.92 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.6 m-80 -125.4 74.19 68.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.59 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -125.74 -150.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.14 176.38 18.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -10.71 21.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.595 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -78.76 -34.83 45.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 p -40.91 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' HG11 ' A' ' 145' ' ' VAL . 11.6 t -57.41 -32.68 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -94.12 -28.28 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -63.9 -30.89 79.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.498 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 8.2 ptp -83.35 -17.05 43.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.4 OUTLIER -62.82 -31.75 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.19 -14.76 58.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -94.11 142.2 24.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.0 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.9 p 31.34 -120.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.7 -69.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 35' ' ' SER . 89.1 t -33.5 -61.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.62 -68.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . . . -50.68 -46.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.593 ' N ' ' HG1' ' A' ' 44' ' ' THR . 38.5 t -57.38 -16.39 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.532 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 11.5 m120 -129.38 17.98 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.1 m-20 -89.78 129.98 44.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 146.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.03 12.54 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.64 ' C ' HD22 ' A' ' 40' ' ' LEU . 2.6 mt-10 -120.24 -19.34 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.881 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.87 -10.61 17.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.549 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 80.9 p -36.26 -36.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.515 HG21 ' CG ' ' A' ' 76' ' ' PHE . 17.1 m -67.38 -55.28 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.505 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -55.28 -47.91 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.593 ' HG1' ' N ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -49.91 -59.22 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 44' ' ' THR . . . -39.27 -37.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.498 ' CB ' HD23 ' A' ' 98' ' ' LEU . . . -66.21 -69.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.535 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -37.69 -56.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.04 -20.5 4.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -42.46 -37.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -74.05 -58.86 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.54 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -123.07 132.24 24.29 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.76 21.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 54' ' ' GLN . 2.0 mp0 -98.01 -7.12 30.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' A' ' 52' ' ' ASN . 3.3 m -106.99 135.1 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -166.93 96.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.639 ' N ' ' CD2' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -103.69 -43.48 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.621 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -19.74 -78.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -32.07 -57.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.606 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -58.86 -50.04 75.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -52.09 -27.58 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 58' ' ' VAL . 4.4 m120 -90.86 47.6 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -165.83 109.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.13 143.9 14.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.6 mt-30 -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -111.2 -169.79 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.497 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 95.6 m -153.73 90.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 3.9 t -51.9 144.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' HG21 ' A' ' 103' ' ' VAL . 10.7 m-85 -135.74 65.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB1' ' CG1' ' A' ' 68' ' ' VAL . . . -102.34 128.17 28.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -136.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.8 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.02 112.55 3.59 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 35.5 p -62.61 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.451 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 3.3 p30 -76.62 -30.83 57.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.79 21.23 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.81 -38.46 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 46.0 m-85 -88.54 -27.58 21.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.31 -10.02 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -29.71 61.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt -88.22 157.13 51.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.9 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 18.0 p -50.82 -36.99 40.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -48.66 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' A' ' 87' ' ' LEU . 33.0 mm -60.94 -68.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ILE . 11.3 t70 -38.21 -31.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -72.32 -48.1 44.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.5 mt -49.16 -33.07 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.2 28.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.45 ' H ' ' C ' ' A' ' 87' ' ' LEU . 12.4 t -172.09 30.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 75.7 m-20 -119.38 -69.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p 70.56 8.42 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -44.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -28.39 21.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 2.4 tp -74.31 -53.9 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' A' ' 99' ' ' THR . 29.9 m -53.9 -39.59 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.573 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.6 -40.36 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 101' ' ' HIS . 2.1 mt -64.17 -62.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD23 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -40.88 -59.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.51 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -45.85 -52.34 11.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.591 ' CE2' ' O ' ' A' ' 160' ' ' MET . 2.0 t80 -57.92 -20.53 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.661 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 88.6 m-70 -89.88 24.28 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.495 ' CG2' ' C ' ' A' ' 101' ' ' HIS . 2.1 t -154.08 136.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.57 HG21 ' CE2' ' A' ' 69' ' ' PHE . 61.0 t -125.74 133.43 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.02 110.42 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.31 79.33 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -44.04 130.08 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.333 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.1 m -150.59 126.52 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.5 p -55.42 167.38 0.74 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.07 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.47 -44.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 6.3 m120 -99.07 -17.91 18.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.74 -9.98 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.471 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 11.4 p -75.07 154.69 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.407 ' N ' HG23 ' A' ' 113' ' ' VAL . . . 92.84 -163.36 26.95 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 m -78.21 106.47 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.475 ' CB ' HG21 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -104.05 -175.05 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.498 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 36.3 tt0 -135.57 133.99 38.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.52 ' CG2' HG23 ' A' ' 124' ' ' VAL . 16.8 p -105.08 152.36 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.429 HD12 ' CG2' ' A' ' 99' ' ' THR . 0.7 OUTLIER -47.5 -25.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.51 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -60.44 -51.26 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.79 -22.13 3.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 159.04 23.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 p -85.67 157.72 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -122.75 104.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.6 m -70.01 81.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 113' ' ' VAL . 21.1 t -79.35 150.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.421 ' N ' HG11 ' A' ' 126' ' ' VAL . 0.1 OUTLIER -155.11 169.87 23.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 177.15 151.23 8.91 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -136.08 -75.95 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -126.81 -44.21 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -161.4 37.24 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 71.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 6.3 mp -80.06 153.23 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 165.5 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -160.17 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.92 -80.68 1.67 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -150.22 20.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 159' ' ' LEU . . . -125.04 173.39 8.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -116.8 125.53 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 97.0 t -59.72 117.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.508 HG23 ' CA ' ' A' ' 155' ' ' ILE . 2.5 t -83.19 -37.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.403 ' HB3' ' HE1' ' A' ' 154' ' ' MET . 43.0 t -170.75 105.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.69 164.73 12.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.74 66.33 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.483 HG11 ' CG1' ' A' ' 22' ' ' VAL . 1.1 t -86.59 54.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 49.6 m -40.41 117.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 21.1 p -84.03 -101.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -104.2 -76.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -124.2 42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.11 136.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.7 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 97.6 m -69.88 171.27 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 147' ' ' THR . 1.2 t -134.52 128.01 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 82.3 m-85 -137.0 88.31 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.542 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 12.2 mtm -65.19 152.81 42.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -144.98 -177.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.96 27.94 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.7 OUTLIER -159.24 145.0 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.9 OUTLIER -77.21 21.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.584 ' O ' ' CB ' ' A' ' 160' ' ' MET . 0.1 OUTLIER 46.41 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.61 ' N ' ' O ' ' A' ' 158' ' ' VAL . 1.5 mtm 88.42 139.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.573 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 160' ' ' MET . 18.4 Cg_endo -75.01 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.87 156.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.2 mm? -79.24 175.02 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 109' ' ' PRO . 2.8 m -125.8 118.83 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.45 148.8 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -171.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -41.58 -40.42 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -39.43 -31.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.01 -69.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -46.36 -53.08 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.5 t80 -44.07 -63.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.16 -47.96 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.97 -39.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.12 -44.06 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -124.79 81.08 61.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.09 7.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -131.06 -171.21 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.94 -178.4 32.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.26 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -84.46 -29.01 26.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 34.9 p -39.44 156.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HB ' ' CG1' ' A' ' 145' ' ' VAL . 4.4 m -69.04 -9.26 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -113.04 -25.79 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.75 -42.2 32.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.559 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 16.0 ptp -59.79 -13.47 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -65.21 -38.67 91.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -69.71 -6.76 33.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 75.7 m-20 -103.84 142.33 24.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.535 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.96 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.708 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.3 p 35.34 -124.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.708 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -6.92 -70.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.58 -63.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.625 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.13 -67.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 40' ' ' LEU . . . -49.67 -47.77 49.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' O ' ' A' ' 32' ' ' VAL . 5.5 t -41.96 -32.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 7.4 m-80 -135.48 35.56 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.548 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -84.88 131.51 48.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 127.262 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 10.23 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.434 1.755 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.668 ' C ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -119.83 -16.53 8.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.888 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.84 -15.1 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -38.83 -34.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.437 HG21 ' CG ' ' A' ' 76' ' ' PHE . 36.9 m -70.1 -51.95 27.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.505 HD13 ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -55.48 -49.28 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.564 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -50.37 -60.3 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -37.52 -37.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.495 ' O ' ' CG2' ' A' ' 55' ' ' VAL . . . -68.04 -72.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.564 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -45.28 -61.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.527 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 3.9 t -44.33 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.0 -20.49 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 10.8 mt-30 -41.65 -25.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -90.58 -53.02 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.543 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -125.55 129.15 24.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 4.19 4.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -118.02 5.05 12.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' A' ' 52' ' ' ASN . 4.1 m -118.9 132.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.5 p30 -155.36 92.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 60' ' ' THR . 2.5 mm? -97.28 -38.59 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.527 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 7.6 p -40.21 -58.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' H ' ' CG1' ' A' ' 58' ' ' VAL . 2.5 m-20 -49.78 -32.72 14.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -82.55 -65.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 66' ' ' TYR . 3.4 mt -32.18 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' THR . 1.2 m-20 -81.53 51.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.9 m -124.64 -89.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.58 172.81 25.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.8 mt-30 -63.02 110.01 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 15.5 m-30 -115.36 -168.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.547 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 25.9 m -148.51 86.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.639 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 74.4 t -49.93 136.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.55 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 9.3 m-85 -129.34 67.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.521 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -100.91 126.39 35.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -138.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.685 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.559 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 40.8 p -53.93 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.427 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.02 -27.88 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.72 62.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB3' ' CA ' ' A' ' 157' ' ' SER . . . -84.52 -75.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -42.51 -29.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.6 t -59.43 -51.14 71.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 0.6 OUTLIER -43.96 -57.24 3.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.417 HD12 ' CG2' ' A' ' 158' ' ' VAL . 26.9 mt -51.7 145.73 15.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 156.46 43.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.88 64.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.5 -56.45 5.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -46.58 65.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.4 -45.75 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.92 -22.16 64.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.36 -44.07 18.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.3 mt -58.76 -18.95 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.514 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 7.3 mttt -92.73 27.7 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -173.4 33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 92.2 m-20 -117.89 -70.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 63.09 10.67 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.82 -43.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.4 -24.68 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.409 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 52.8 m -53.16 -39.57 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.448 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -58.44 -37.57 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.0 mt -67.78 -51.67 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' O ' HG11 ' A' ' 102' ' ' VAL . 1.4 mt -51.32 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 2.3 p -50.47 -43.25 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 160' ' ' MET . 42.9 t80 -69.98 -10.05 57.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 10.8 m-70 -99.45 16.67 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -154.93 116.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.55 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 89.5 t -92.71 151.71 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.58 33.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 112.28 90.0 1.88 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -41.43 141.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.505 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 24.2 m -159.18 129.28 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -66.91 167.14 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.464 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 49.2 2.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.72 -46.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -96.48 -25.48 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.3 p -54.69 -24.01 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.86 129.97 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.72 -162.52 12.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.7 m -75.84 112.11 11.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.472 ' O ' ' CG1' ' A' ' 124' ' ' VAL . 1.3 mmm180 -118.25 113.66 21.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.84 115.77 7.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 100' ' ' TYR . 60.4 p -76.05 147.04 38.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.49 -30.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 118' ' ' THR . 0.5 OUTLIER -58.41 -57.81 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.37 -25.67 1.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -74.3 -173.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.74 139.73 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 116' ' ' ARG . 6.2 p -115.02 111.41 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -76.55 100.49 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.454 ' C ' ' CG2' ' A' ' 127' ' ' THR . 5.3 t -91.94 149.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.454 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -151.53 -176.95 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 143.16 163.11 9.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.533 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.6 tt0 157.48 93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' ASN . . . 107.17 76.06 0.97 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 130' ' ' GLY . 30.5 m120 37.42 51.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.96 109.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.549 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 9.5 mp -116.84 149.6 39.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.86 161.34 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.476 ' CG1' HD23 ' A' ' 159' ' ' LEU . 2.3 t -150.58 111.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 60.87 -78.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -149.65 21.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -118.36 175.53 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -116.97 117.03 28.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.549 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 79.0 t -57.15 104.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.489 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -71.52 -44.66 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.8 t -164.58 106.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.543 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.34 167.13 12.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.46 24.4 58.92 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.497 ' CG1' ' HB ' ' A' ' 22' ' ' VAL . 3.0 t -99.2 56.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 16.1 m -40.92 116.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.535 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.2 p -78.94 -95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 28' ' ' ASP . . . -115.18 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -121.23 42.75 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.535 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . 179.95 141.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.578 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 46.8 m -72.98 173.42 9.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -135.72 126.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.578 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 76.2 m-85 -136.97 82.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.559 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.6 mtm -60.65 144.29 52.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -133.15 175.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.421 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 5.7 p-10 -117.11 39.8 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.459 ' CA ' ' HB3' ' A' ' 75' ' ' ALA . 16.8 m -167.37 141.06 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 159' ' ' LEU . 94.0 t -77.64 74.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -35.87 153.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.699 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 14.3 mtt -145.14 148.83 39.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.448 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 122.54 7.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.02 64.59 6.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 62.12 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mt 46.51 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.456 ' CG2' HD12 ' A' ' 133' ' ' LEU . 14.1 p -135.54 166.32 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.8 157.32 31.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 176.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.98 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.45 -34.2 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.4 OUTLIER -43.6 -54.91 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -55.65 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -37.74 -47.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 81.4 t80 -57.16 -55.19 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.92 -42.97 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -35.22 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.91 -44.7 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -124.35 74.17 60.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -60.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' GLY . 8.8 p -116.42 -11.89 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.81 -177.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.03 8.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -90.93 37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -108.23 176.81 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.043 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG1' HG13 ' A' ' 145' ' ' VAL . 3.2 m -67.04 -32.94 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.86 -41.85 12.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.1 -17.77 11.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' HG22 ' A' ' 147' ' ' THR . 22.4 ptp -105.5 -9.44 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HA ' ' C ' ' A' ' 147' ' ' THR . 20.0 m -76.56 -26.39 55.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -86.37 -8.0 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.13 163.84 20.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 138.45 22.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 29' ' ' PRO . 1.5 m -21.42 -52.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -46.25 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' SER . 11.9 t -42.09 -39.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -42.36 -35.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.92 -33.61 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 8.7 t -54.02 -22.32 10.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 35.8 m-80 -78.63 -44.78 23.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 31.4 t-20 -61.63 132.24 93.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -170.612 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.01 5.54 3.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 2.6 mm-40 -124.3 -1.19 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 70' ' ' ALA . 27.9 mt -116.14 -29.28 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.8 p -38.51 -33.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.503 HG21 ' CG ' ' A' ' 76' ' ' PHE . 4.5 m -69.51 -53.78 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -62.45 -52.76 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.619 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 57.4 m -47.57 -55.56 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' CA ' ' HB2' ' A' ' 50' ' ' GLN . . . -43.56 -38.49 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.66 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.619 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -44.81 -61.7 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.542 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 56.9 p -43.61 -50.35 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 134.97 -23.59 3.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 45' ' ' ALA . 4.5 mm-40 -36.84 -54.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' HB3' ' ND2' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -65.68 -57.06 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -110.52 118.29 49.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 4.23 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -112.91 6.6 17.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 56' ' ' ASN . 37.9 t -124.93 158.4 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -174.42 93.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -107.64 13.41 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.542 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.1 t -69.75 -35.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.38 -47.94 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ASN . 18.0 m -65.46 -64.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 4.1 mt -39.93 -29.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' THR . 7.5 t-20 -99.48 57.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.44 107.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.14 139.65 10.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.0 mt-30 -57.57 107.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 10.0 m-30 -112.76 -176.45 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.516 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 24.1 m -150.86 84.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.1 t -50.57 134.15 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.652 ' CE2' HG22 ' A' ' 103' ' ' VAL . 7.4 m-85 -123.0 65.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -94.77 129.95 34.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -137.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.69 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.95 110.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 27.6 p -54.45 177.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -13.86 62.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.09 -22.2 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.07 -43.49 52.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.69 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.6 m-85 -73.1 -30.25 63.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.2 t -66.04 -30.91 71.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -57.77 -59.25 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.3 mt -54.33 152.11 12.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.7 42.99 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -53.76 -54.1 42.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.0 m -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -51.59 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.48 -46.61 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -16.94 44.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -87.7 -39.43 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.6 mt -66.93 -14.11 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -91.39 30.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 t -167.48 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' HD21 ' A' ' 87' ' ' LEU . 89.4 m-20 -40.18 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t 66.69 9.82 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -136.02 -44.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.05 -24.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.45 -39.42 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.4 m -53.1 -45.59 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.585 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.8 OUTLIER -52.51 -37.0 56.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 98' ' ' LEU . 2.3 mt -68.71 -63.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -43.43 -54.86 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 95' ' ' THR . 2.9 p -50.72 -50.18 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.513 ' CE1' HG13 ' A' ' 124' ' ' VAL . 3.0 t80 -62.61 -12.14 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.664 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 33.9 m-70 -96.69 24.2 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -159.23 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.652 HG22 ' CE2' ' A' ' 69' ' ' PHE . 25.4 t -107.47 138.31 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.38 107.15 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 163.35 -41.9 0.33 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.516 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.3 OUTLIER 75.69 121.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 21.9 m -159.71 128.33 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 1.7 p -61.51 169.67 2.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -75.03 46.1 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.779 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.34 -43.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 3.8 m120 -102.15 -19.8 14.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.2 p -53.04 -21.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.91 142.64 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.04 -170.8 17.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.7 m -70.15 98.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.408 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.441 ' HB3' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -92.49 170.52 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 37.2 tt0 -125.22 120.64 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.539 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 2.5 p -87.09 148.47 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.616 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -54.59 -24.21 20.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.556 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 14.4 tm0? -63.99 -42.62 97.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 136.1 -39.42 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.598 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -64.53 170.82 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -100.17 155.54 17.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.513 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -122.5 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -76.09 91.25 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.447 ' C ' ' CG2' ' A' ' 127' ' ' THR . 12.0 t -90.7 147.04 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.447 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -152.83 166.2 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 129' ' ' GLN . . . 155.88 -148.19 17.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 21.8 tt0 178.62 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.58 -59.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -107.7 49.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.0 t 174.35 128.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.456 HD12 ' CG2' ' A' ' 4' ' ' VAL . 8.0 mt -143.44 129.52 19.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.73 154.42 47.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.461 ' CG1' HD22 ' A' ' 159' ' ' LEU . 1.1 t -144.58 120.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.95 -82.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.3 OUTLIER -150.8 24.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 157' ' ' SER . . . -121.78 171.73 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.71 119.08 36.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 94.6 t -60.66 105.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.455 ' O ' ' HD2' ' A' ' 6' ' ' PRO . 2.8 t -75.47 -57.07 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.6 t -146.67 105.81 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.551 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.88 169.49 12.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.81 75.49 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.503 HG13 ' CG1' ' A' ' 22' ' ' VAL . 2.2 t -85.17 64.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -50.86 124.29 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.2 p -93.53 -106.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -103.9 -73.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.461 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -122.73 40.73 3.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.533 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -176.33 159.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.565 HG22 ' CE2' ' A' ' 153' ' ' TYR . 24.7 m -96.74 -179.4 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.02 129.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.565 ' CE2' HG22 ' A' ' 151' ' ' THR . 80.8 m-85 -137.55 87.05 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.436 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 3.1 mtm -60.78 138.39 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.473 HD13 ' CA ' ' A' ' 71' ' ' PRO . 1.1 pp -134.47 169.68 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.492 ' O ' ' OG ' ' A' ' 157' ' ' SER . 30.2 p-10 -113.92 52.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.498 ' HB2' ' CB ' ' A' ' 138' ' ' ALA . 1.8 m -172.56 129.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 159' ' ' LEU . 70.9 t -75.1 77.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.604 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.2 mp -38.06 151.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.508 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 10.8 mtt -143.88 146.5 34.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.585 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.95 122.54 7.29 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.598 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.97 73.77 4.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' LEU . 4.9 m-20 -78.17 137.96 38.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER 46.16 -170.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.86 168.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.26 151.79 11.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -175.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -64.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -42.38 -39.04 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.23 -34.14 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -72.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -53.09 -55.92 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.8 t80 -36.87 -64.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.82 -50.51 14.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.32 -39.95 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.59 -45.84 28.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -124.21 76.68 60.49 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.05 -30.77 6.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -129.68 178.02 6.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 -178.76 31.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -12.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -86.61 2.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.0 p -81.98 165.59 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.532 ' CG1' HG11 ' A' ' 145' ' ' VAL . 24.9 m -69.33 -29.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' SER . 8.4 tt0 -87.42 -57.51 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.93 -62.6 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.492 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.8 ptp -49.04 -28.19 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.4 t -60.15 -15.86 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -92.63 12.5 22.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 68.1 m-20 -129.86 151.63 78.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.709 ' O ' ' C ' ' A' ' 31' ' ' ALA . 11.0 p 28.16 -118.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.709 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -7.45 -71.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 35' ' ' SER . 57.5 t -36.47 -61.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.17 -67.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.5 t -77.85 47.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 60.4 m-80 -160.71 -43.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 3.2 t-20 -44.98 126.27 5.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 164.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.14 -4.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 25.6 mt -113.07 -25.76 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -47.87 -41.34 23.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.615 HG23 ' CD2' ' A' ' 76' ' ' PHE . 2.5 t -61.11 -29.3 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -85.44 -43.37 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -48.77 -59.25 3.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -37.82 -36.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.01 -69.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.542 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -50.57 -61.74 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 4.1 p -41.45 -65.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 149.04 -21.86 1.25 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 28.2 mt-30 -36.63 -40.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -70.53 -50.31 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -136.34 130.63 18.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 6.76 3.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.82 4.91 20.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.9 t -125.51 142.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' SER . 5.4 p30 -165.79 107.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' ASP . 8.0 mp -110.68 -27.25 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.501 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 41.4 t -37.16 -31.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 57' ' ' LEU . 1.5 t70 -75.86 -54.65 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.4 m -60.98 -54.4 45.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' HA ' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -49.97 -35.05 22.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -90.08 54.43 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 109.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.45 137.58 5.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.7 mt-30 -53.92 109.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.0 m-30 -113.24 -170.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.54 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 71.5 m -154.84 88.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.451 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 6.4 t -51.64 145.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 9.1 m-85 -135.95 69.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -97.47 127.55 37.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -141.446 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.846 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -75.02 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 155' ' ' ILE . 14.7 p -53.02 -179.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -70.21 -29.65 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.27 14.76 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.76 -30.62 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.7 m-85 -89.38 -37.95 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -60.06 -13.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.31 -25.03 65.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' CD1' HG23 ' A' ' 158' ' ' VAL . 24.7 mt -92.99 156.63 40.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.85 31.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.8 p -54.37 -56.16 21.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -47.26 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 87' ' ' LEU . 34.9 mm -60.48 -69.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.444 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -37.96 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.6 tp10 -71.63 -48.77 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.2 mt -48.15 -33.93 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.518 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -81.03 39.44 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.564 HG22 ' N ' ' A' ' 90' ' ' ASN . 5.0 t -167.48 -31.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.564 ' N ' HG22 ' A' ' 89' ' ' THR . 57.2 m-20 -63.05 -71.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.2 p 86.04 -39.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -93.62 -55.11 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.434 HD21 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -60.96 -30.64 70.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -77.31 -47.12 20.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.471 ' O ' ' OG1' ' A' ' 99' ' ' THR . 2.8 m -54.3 -44.04 71.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.4 OUTLIER -51.42 -41.56 60.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.425 HG13 ' HD3' ' A' ' 161' ' ' PRO . 1.9 mt -65.12 -56.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.74 -61.23 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 95' ' ' THR . 0.9 OUTLIER -44.35 -49.4 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.476 ' OH ' ' O ' ' A' ' 123' ' ' SER . 1.0 OUTLIER -57.3 -28.3 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.731 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.3 m-70 -83.64 22.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.505 ' CG2' ' C ' ' A' ' 101' ' ' HIS . 1.9 t -154.56 141.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.54 ' CG2' ' HA ' ' A' ' 118' ' ' THR . 4.0 t -123.81 150.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.07 109.85 22.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 119.94 85.95 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -35.3 132.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.46 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 54.8 m -141.39 133.85 28.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -71.96 164.02 62.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.04 1.62 7.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.06 -15.16 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 113' ' ' VAL . 28.9 m120 -118.9 -38.74 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 109' ' ' PRO . 4.5 p -41.84 -28.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 111' ' ' ASN . 73.7 t -56.45 136.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.07 -176.81 20.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.0 m -74.82 122.1 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -122.84 169.02 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -111.83 116.89 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.54 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 19.3 p -84.32 175.26 9.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.0 -46.73 89.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.466 ' N ' ' HB ' ' A' ' 99' ' ' THR . 21.7 tp60 -58.38 -17.21 18.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . 105.98 -53.18 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 121' ' ' GLY . . . -38.61 149.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.476 ' O ' ' OH ' ' A' ' 100' ' ' TYR . 19.5 p -82.77 158.99 22.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.97 105.49 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.7 m -71.45 80.59 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.502 ' C ' ' CG2' ' A' ' 127' ' ' THR . 21.0 t -80.72 144.78 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -155.47 179.5 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 134.46 -111.9 0.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 33.6 tt0 85.36 -60.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' ASN . . . -96.05 67.11 1.06 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' GLY . 23.2 m120 61.03 145.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 t 66.21 97.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 140' ' ' VAL . 10.9 mp -95.8 166.09 11.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 126' ' ' VAL . 5.3 mtpt -137.04 160.81 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.441 ' CG2' HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -157.99 122.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.05 40.23 12.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 19.6 t30 87.95 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -59.95 176.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 3.0 m-20 -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 133' ' ' LEU . 79.0 t -59.17 111.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.07 -52.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 24.2 t -154.53 105.58 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.46 172.19 14.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 15.96 79.96 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.532 HG11 ' CG1' ' A' ' 22' ' ' VAL . 2.4 t -84.98 57.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.1 m -48.29 115.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.1 p -79.53 -97.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -112.12 -71.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -126.12 43.63 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -178.04 137.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.657 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 55.3 m -75.98 174.41 10.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.451 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 2.4 t -141.23 129.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.657 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 84.8 m-85 -136.41 95.75 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.6 mtp -67.13 143.14 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -132.63 -175.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.417 ' O ' ' OG ' ' A' ' 157' ' ' SER . 2.0 p-10 -120.1 37.52 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -172.16 132.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.606 ' O ' ' C ' ' A' ' 159' ' ' LEU . 4.1 m -73.72 67.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.606 ' C ' ' O ' ' A' ' 158' ' ' VAL . 57.6 mt -21.29 131.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.448 ' O ' ' HE2' ' A' ' 100' ' ' TYR . 8.2 mtt -122.77 143.18 39.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 125.26 9.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -74.98 164.81 32.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.969 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -143.18 88.29 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? 46.33 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 4.3 p -138.36 152.82 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.14 152.96 27.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -165.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.763 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -43.13 -48.55 6.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -40.88 -30.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -69.03 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -60.37 -53.71 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 42.6 t80 -35.87 -64.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.44 -53.51 6.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.0 -33.25 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -83.76 -41.19 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.36 77.4 60.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -139.22 167.49 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.7 -160.42 13.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.2 Cg_endo -75.01 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -71.22 60.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' PRO . 81.5 p -142.54 173.56 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 145' ' ' VAL . 56.4 t -65.45 -53.34 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -74.48 -32.89 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.459 ' CG ' HG23 ' A' ' 147' ' ' THR . 16.9 ptp -77.64 -7.83 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -79.69 -28.51 40.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.944 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -78.46 -2.51 38.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.3 167.77 19.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 158.55 42.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.607 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 4.1 p -38.09 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -62.03 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 31' ' ' ALA . 29.0 t -32.27 -43.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -40.2 -68.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.75 88.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -46.45 -27.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -67.58 -44.8 77.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.475 ' O ' ' CG2' ' A' ' 41' ' ' THR . 16.9 t-20 -71.59 137.83 83.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -155.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 1.79 7.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.1 mm-40 -122.57 -3.2 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 12.6 mt -118.5 -24.37 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -40.6 -35.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.604 HG23 ' CE2' ' A' ' 76' ' ' PHE . 7.4 t -69.75 -48.9 57.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -64.45 -55.49 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.589 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 2.4 m -47.58 -52.08 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -46.04 -36.82 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.22 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.589 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.47 -62.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.517 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 65.1 p -45.02 -54.33 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 135.68 -20.72 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.485 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -37.7 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.41 -52.16 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -128.62 125.5 23.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 3.25 5.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.38 -0.76 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -131.6 127.05 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 48' ' ' SER . 9.3 p30 -143.32 118.79 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -126.94 10.35 6.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.517 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.2 t -53.29 -46.28 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.33 -45.83 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.7 m -55.17 -16.72 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.51 -48.01 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.554 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 23.3 p-10 -79.2 46.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -88.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.63 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -124.64 -172.37 13.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -46.21 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 4.3 m-30 -114.54 -178.65 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.622 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 17.4 m -155.69 88.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.607 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 3.4 t -52.0 141.76 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 103' ' ' VAL . 11.4 m-85 -131.23 70.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -104.14 131.15 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -136.066 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.778 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 125.99 9.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.7 p -69.04 174.11 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -64.73 -13.75 55.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.26 -19.6 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' CA ' ' A' ' 157' ' ' SER . . . -75.94 -36.47 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.778 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 34.6 m-85 -78.32 -21.95 48.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -20.26 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.79 -60.69 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 mt -54.32 152.76 10.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.1 144.48 29.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.32 -52.06 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -50.04 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -48.97 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.08 -57.01 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.98 -24.05 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' THR . 1.0 OUTLIER -80.57 -43.58 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -56.06 -17.83 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 9.5 mttt -91.63 11.32 24.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.4 t -145.23 12.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.482 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 1.8 m-20 -118.57 165.52 13.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -153.7 22.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' OG ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -142.77 -48.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.07 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -27.69 54.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.65 -49.21 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.434 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.1 m -49.87 -51.95 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 4.3 m -45.23 -41.94 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 1.2 mt -65.24 -57.0 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -49.04 -58.11 5.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.2 p -51.99 -45.93 64.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -64.73 -12.76 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.671 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 52.2 m-70 -95.2 22.75 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -159.26 128.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 69' ' ' PHE . 2.9 t -103.91 161.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.87 99.74 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 161.99 -51.55 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.622 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.57 129.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 5.9 m -162.82 126.79 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -49.91 165.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 50.69 2.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.67 -45.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.491 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 2.4 m120 -98.07 -28.9 13.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.19 -22.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.472 HG23 ' CA ' ' A' ' 127' ' ' THR . 1.3 p -66.11 165.92 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.25 -100.0 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.7 m -144.79 125.13 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.523 ' NE ' ' H ' ' A' ' 117' ' ' GLN . 1.9 tpt180 -122.93 149.76 43.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.523 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 50.8 tt0 -94.04 116.21 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.522 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 52.4 p -76.37 153.38 35.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.61 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -60.19 -23.78 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.51 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 13.6 tp60 -61.44 -34.68 75.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.98 -9.96 11.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.52 175.22 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.737 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 p -101.01 152.23 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 116' ' ' ARG . 2.5 p -128.74 101.15 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -66.53 100.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.512 ' C ' ' CG2' ' A' ' 127' ' ' THR . 23.7 t -94.19 155.46 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.512 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 1.4 p -154.07 -178.5 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 132' ' ' SER . . . 136.52 159.5 8.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 128' ' ' GLY . 16.2 pt20 172.65 131.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 43.69 79.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.3 m120 60.03 67.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.495 ' O ' ' CA ' ' A' ' 128' ' ' GLY . 2.9 t 179.47 131.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 140' ' ' VAL . 9.9 mt -152.85 124.08 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.448 ' HG2' ' HA ' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -129.57 142.89 50.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.483 ' CG2' HG12 ' A' ' 126' ' ' VAL . 2.1 t -135.3 126.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.56 38.11 7.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.8 t30 89.4 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.494 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -60.74 179.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.448 ' HA ' ' HG2' ' A' ' 134' ' ' LYS . 40.5 m-20 -125.38 117.86 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -58.0 108.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.61 -50.89 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.83 105.07 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.34 163.54 12.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.23 18.23 57.78 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.474 HG12 ' CG1' ' A' ' 22' ' ' VAL . 1.2 t -91.23 69.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 11.4 m -58.44 130.75 48.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.8 p -88.8 -104.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -110.61 -43.21 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -150.32 33.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.54 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -164.97 151.05 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.633 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 33.1 m -92.97 170.33 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 145' ' ' VAL . 1.4 t -136.87 127.08 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.633 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.1 m-85 -135.29 90.78 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.434 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 5.1 mtm -63.62 145.97 54.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -135.51 -179.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 1.6 p-10 -117.15 36.84 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 159' ' ' LEU . 47.1 m -164.59 150.14 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.962 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.576 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 85.0 t -73.45 11.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.627 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 14.6 mt 51.67 -86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.703 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.7 mtp 82.54 137.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 129.08 12.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.53 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -175.36 49.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp -87.27 -171.74 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 133' ' ' LEU . 7.6 p -131.12 167.14 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.93 157.92 33.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 165.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 11' ' ' TYR . . . -50.04 -42.96 40.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.626 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -56.19 -18.98 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . -82.46 -63.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.79 -53.31 48.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 46.3 t80 -38.97 -64.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.21 -49.99 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.58 -43.67 36.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -76.54 -50.38 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -119.74 82.96 27.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.78 4.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 p -135.64 -171.93 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 95.93 -178.01 34.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -92.16 8.93 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 61.2 p -87.18 164.1 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 145' ' ' VAL . 19.0 m -61.57 -33.86 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.05 -47.3 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -48.51 -23.75 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.518 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 18.6 ptp -93.13 -25.23 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' GLN . 27.6 m -55.5 -21.75 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -91.32 25.89 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.18 152.97 68.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.93 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.657 ' O ' ' C ' ' A' ' 31' ' ' ALA . 2.6 p 27.03 -104.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.657 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -17.45 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.594 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 74.7 t -36.0 -58.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.09 -50.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -66.4 -40.77 89.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' VAL . 6.5 p -49.25 -22.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -81.2 -35.09 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t-20 -64.52 134.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -172.541 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 1.14 8.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -122.01 -2.77 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 26.8 mt -116.21 -31.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -36.3 -35.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' CG ' ' A' ' 76' ' ' PHE . 99.4 m -68.16 -53.81 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.99 -56.91 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.507 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 40.2 m -47.16 -59.53 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -40.53 -39.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.17 -72.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -45.39 -60.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.518 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 10.7 p -43.21 -65.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.68 -23.13 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 2.1 mt-30 -38.62 -51.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -56.77 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -113.14 108.31 53.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 25.09 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' ' 52' ' ' ASN . 7.6 mt-30 -130.31 5.77 4.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.01 155.87 41.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 6.4 p30 -163.41 102.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.487 ' CD1' HG23 ' A' ' 99' ' ' THR . 15.8 mt -119.11 -10.81 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 48' ' ' SER . 7.5 p -57.47 -59.78 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' H ' ' CG1' ' A' ' 58' ' ' VAL . 2.8 m-20 -48.79 -32.56 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.3 m -73.84 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 6.0 mt -37.94 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.3 m-20 -84.85 51.47 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -176.42 106.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.45 138.75 10.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -58.82 104.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 11.5 m-30 -113.1 -173.27 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.514 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 17.8 m -149.99 86.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.42 ' CG2' HG22 ' A' ' 30' ' ' VAL . 56.2 t -51.75 130.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 103' ' ' VAL . 6.5 m-85 -119.94 69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -94.59 128.15 41.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -139.428 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.729 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.01 110.59 3.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 47.6 p -51.52 170.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -67.62 -17.92 64.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 -20.56 27.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -74.8 -47.0 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 36.9 m-85 -65.18 -38.2 89.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 m -56.09 -36.85 68.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 0.5 OUTLIER -45.26 -54.16 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' HB3' ' CG2' ' A' ' 83' ' ' THR . 6.1 mt -63.33 150.24 89.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.0 147.02 33.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.55 1.816 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 t -50.68 -48.5 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -57.9 -48.53 79.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.9 mm -62.41 -50.1 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -55.08 -19.79 8.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 89' ' ' THR . 4.5 tp10 -83.57 -45.55 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.5 mt -64.89 -12.43 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -92.93 30.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -164.78 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 89' ' ' THR . 19.9 m-20 -56.95 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.6 p 168.77 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.88 13.55 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -136.47 -46.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -67.45 -38.82 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -54.11 -42.68 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.429 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.75 -38.1 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 98' ' ' LEU . 1.8 mt -69.3 -60.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.496 ' CD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -45.03 -62.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.487 HG23 ' CD1' ' A' ' 57' ' ' LEU . 38.1 p -47.57 -50.69 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.5 t80 -61.62 -13.44 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.662 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.0 m-70 -96.29 23.41 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -160.91 118.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.572 HG23 ' CE2' ' A' ' 69' ' ' PHE . 41.4 t -95.39 157.31 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.82 99.87 10.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.52 100.67 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 127.24 26.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.9 m -144.44 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 3.2 p -87.85 166.5 24.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.443 ' CB ' HG13 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.02 52.26 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.43 -47.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -102.57 -18.02 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.65 -20.31 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.453 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 66.5 t -70.38 137.54 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.91 -171.45 13.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -67.53 107.5 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.58 110.92 21.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.33 107.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 103' ' ' VAL . 75.8 p -71.8 151.08 43.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -51.18 -28.56 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 120' ' ' GLN . 4.9 tp60 -56.69 -42.24 78.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 129.43 -11.69 6.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 -178.36 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.79 133.31 55.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -107.48 106.05 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.4 m -67.08 75.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.486 HG11 ' CG2' ' A' ' 135' ' ' VAL . 44.3 t -60.33 147.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -141.83 175.52 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.77 162.3 9.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -136.81 -70.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -127.98 -98.81 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.23 45.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.37 94.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.507 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 5.3 mt -104.13 142.66 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -130.79 161.15 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.486 ' CG2' HG11 ' A' ' 126' ' ' VAL . 1.2 t -152.55 119.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.98 50.8 2.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 87.11 -45.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 159' ' ' LEU . . . -48.84 171.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -119.91 119.35 33.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.507 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 72.3 t -63.58 120.98 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 7' ' ' GLY . 2.2 t -91.51 -53.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.626 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 5.2 t -153.2 108.87 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.81 -179.21 19.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.31 71.49 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 22' ' ' VAL . 1.6 t -84.11 53.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.2 m -43.04 130.63 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.518 ' CG2' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -99.52 -96.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -112.47 -75.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -121.8 36.99 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.5 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -171.16 150.17 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 153' ' ' TYR . 94.0 m -89.01 176.52 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.502 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.1 t -139.24 131.5 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.572 ' CE2' HG22 ' A' ' 151' ' ' THR . 75.3 m-85 -139.57 89.61 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.47 141.7 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.523 HD11 ' CE1' ' A' ' 101' ' ' HIS . 0.9 OUTLIER -133.35 170.63 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.416 ' OD1' ' OD2' ' A' ' 139' ' ' ASP . 5.3 p-10 -111.99 41.02 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.466 ' CA ' ' HB1' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -166.99 139.89 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' ' 159' ' ' LEU . 37.5 t -75.36 69.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.5 tp -31.28 129.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.693 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 30.0 mtt -126.76 150.59 71.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.429 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.02 139.4 24.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.93 127.37 10.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.936 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -76.1 169.0 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 1.6 mm? -94.64 176.48 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG13 ' CG ' ' A' ' 109' ' ' PRO . 2.1 p -119.32 144.39 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.39 146.79 18.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -164.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.2 Cg_endo -75.01 -66.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.464 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -35.87 -38.84 0.24 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -40.25 -30.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.93 -59.27 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.65 -43.99 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CZ ' ' OD1' ' A' ' 37' ' ' ASN . 83.2 t80 -63.17 -65.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -43.74 -52.53 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.86 -27.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -93.55 -39.84 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.7 m-80 -125.78 73.2 69.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' CG2' ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.01 -9.43 20.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 60.3 p -154.17 -167.63 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 80.21 -161.31 45.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.93 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -70.29 61.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . 66.4 m -137.43 162.42 33.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.512 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 17.4 t -53.78 -39.12 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.62 -35.54 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.04 -12.29 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.55 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 6.7 ptp -100.45 -11.46 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -65.06 -50.89 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.75 -18.1 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 48.7 m-20 -94.67 142.91 25.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.529 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.01 100.04 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.701 ' O ' ' C ' ' A' ' 31' ' ' ALA . 12.4 p 30.2 -122.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.64 -72.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' SER . 93.0 t -29.62 -60.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.66 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -33.14 -66.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CA ' ' HB2' ' A' ' 40' ' ' LEU . . . -48.32 -44.02 33.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.51 -22.1 42.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.0 m120 -92.05 -33.94 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.548 ' OD1' ' CZ ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -63.55 126.67 90.06 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.369 170.375 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.576 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 10.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.654 ' C ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt-10 -116.4 -18.26 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.895 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.82 -17.29 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.52 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 91.2 m -73.33 -53.04 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -57.62 -54.89 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.643 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -50.16 -53.67 26.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.368 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.99 -39.53 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.58 -72.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.643 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -44.33 -61.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.542 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 91.0 p -44.32 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 153.35 -19.45 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -50.27 -20.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.87 -44.74 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.597 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -109.81 98.06 31.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 14.33 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.4 mt-30 -128.33 6.65 5.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.597 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -125.9 -179.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.0 p30 169.77 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.577 ' CD1' ' HB2' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -94.28 -32.33 13.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 t -27.11 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -40.45 -56.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 57' ' ' LEU . 51.9 m -58.24 -58.82 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -40.06 -34.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -98.34 57.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 m -124.24 -92.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.88 178.26 36.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -63.35 108.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.476 ' HB2' ' CB ' ' A' ' 150' ' ' ALA . 13.6 m-30 -113.98 -168.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.519 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 87.8 m -152.51 88.21 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.677 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 38.3 t -50.71 141.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.602 ' CE2' HG21 ' A' ' 103' ' ' VAL . 8.3 m-85 -135.12 69.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.51 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -107.09 127.27 28.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -135.478 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.749 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.96 109.1 2.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.591 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 30.4 p -58.1 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.63 7.24 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.19 0.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.35 -49.24 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.749 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 66.3 m-85 -69.94 -24.36 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -18.24 62.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.89 -61.9 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.6 mt -47.82 151.84 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.28 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -50.6 -55.61 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.1 t -38.64 -56.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -48.54 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.69 -54.83 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -20.34 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.26 -45.36 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 87' ' ' LEU . 5.3 mt -57.92 -17.34 16.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -88.73 7.74 32.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.6 t -164.32 45.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 91' ' ' SER . 93.7 m-20 -120.71 -93.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 3.0 t 89.31 -26.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 24.92 12.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.57 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.75 -50.6 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -45.11 -39.98 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.534 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.38 -46.11 80.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -61.93 -50.82 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.577 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 2.0 mt -50.78 -62.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.554 ' CG2' ' CD2' ' A' ' 119' ' ' LEU . 15.1 p -50.03 -44.55 51.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 6.8 t80 -64.51 -14.66 58.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.617 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 36.3 m-70 -92.82 15.98 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.5 OUTLIER -154.23 126.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.602 HG21 ' CE2' ' A' ' 69' ' ' PHE . 44.5 t -105.28 144.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.14 107.8 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 121.54 110.63 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -66.61 137.19 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.437 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 34.7 m -157.21 134.18 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 p -65.78 165.59 19.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.438 ' CG ' HG13 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 52.03 2.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.82 -44.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -102.32 -28.97 11.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.81 -24.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 114' ' ' GLY . 12.5 p -57.51 153.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 113' ' ' VAL . . . 76.77 -165.83 53.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.2 m -61.63 135.41 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.483 ' CG ' HG11 ' A' ' 103' ' ' VAL . 2.7 tpm_? -149.74 123.47 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.503 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 28.9 tt0 -58.11 137.92 56.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.488 ' CG2' HG11 ' A' ' 124' ' ' VAL . 22.4 p -110.69 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.554 ' CD2' ' CG2' ' A' ' 99' ' ' THR . 4.8 tt -61.7 -49.54 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.513 ' N ' ' HB ' ' A' ' 99' ' ' THR . 17.9 tp60 -48.51 -20.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 102.19 -10.11 56.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -81.61 -169.21 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.98 136.75 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.488 HG11 ' CG2' ' A' ' 118' ' ' THR . 7.5 p -106.97 127.6 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.2 m -87.58 76.16 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 135' ' ' VAL . 20.0 t -67.67 163.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.411 ' OG1' ' C ' ' A' ' 126' ' ' VAL . 3.8 m -155.3 170.66 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -166.45 135.56 3.74 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -133.61 -166.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -39.24 -38.73 0.92 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' SER . 10.9 m120 -169.29 139.49 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.6 t 84.59 91.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 133' ' ' LEU . 10.1 mp -72.1 170.53 13.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.4 mttt -132.15 156.28 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.461 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -155.33 125.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.79 39.03 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.5 t-20 89.74 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 157' ' ' SER . . . -55.03 177.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 9.5 m-20 -120.45 121.78 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.49 106.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.49 HG22 ' CA ' ' A' ' 155' ' ' ILE . 2.2 t -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.483 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 19.3 t -155.23 108.91 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 167.63 12.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 21.95 67.85 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.512 ' CG1' ' HA ' ' A' ' 22' ' ' VAL . 11.3 t -93.68 53.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.8 m -40.16 116.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 2.6 p -83.85 -103.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.71 -78.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -123.52 45.16 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.508 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -177.88 135.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.689 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 65.5 m -68.06 172.66 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.497 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.8 t -135.31 126.93 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 78.7 m-85 -135.78 81.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.591 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 15.7 mtm -60.42 145.88 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.582 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -135.9 -179.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -114.31 17.85 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.509 ' C ' ' H ' ' A' ' 159' ' ' LEU . 2.9 m -140.68 141.61 34.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 159' ' ' LEU . 98.8 t -74.76 14.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.633 ' O ' ' O ' ' A' ' 158' ' ' VAL . 64.3 mt 38.05 -169.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 173.19 139.93 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.534 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 142.97 28.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.1 Cg_endo -75.01 68.08 5.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 178.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.24 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 133' ' ' LEU . 3.9 p -114.76 172.58 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.38 156.07 21.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -66.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.01 -36.44 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -44.58 -28.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -75.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.83 -51.39 9.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 61.0 t80 -38.27 -66.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.76 -55.68 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.73 -39.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.14 -46.85 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -127.12 80.07 72.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.02 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.7 p -121.86 147.44 45.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 -161.25 24.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -42.57 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -80.81 54.59 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -134.12 170.84 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.52 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 59.0 t -65.55 -36.97 78.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -86.01 -39.89 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.26 -41.57 54.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.468 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 15.0 ptp -76.71 -20.51 56.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' HA ' ' C ' ' A' ' 147' ' ' THR . 0.9 OUTLIER -72.65 -12.11 60.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.34 17.48 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -152.0 169.48 9.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 137.8 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.623 ' C ' ' O ' ' A' ' 29' ' ' PRO . 2.0 m -20.93 -53.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -43.82 -88.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 35' ' ' SER . 59.8 t -45.86 -35.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -49.17 -28.07 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.64 -24.87 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 10.3 t -63.62 -11.56 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -91.47 -42.74 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' ' CG2' ' A' ' 41' ' ' THR . 0.5 OUTLIER -64.55 134.19 95.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -170.691 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.96 4.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.55 -4.71 9.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD2' ' HB1' ' A' ' 70' ' ' ALA . 29.0 mt -115.64 -32.57 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.07 -36.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -67.96 -53.78 23.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.23 -51.97 67.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.598 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 47.9 m -48.2 -49.82 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -48.34 -37.3 16.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.32 -70.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.598 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -45.34 -61.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.505 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 63.7 p -44.66 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.69 -22.12 0.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.5 mt-30 -38.57 -40.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -56.51 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.452 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -113.65 113.78 47.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 10.61 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -119.33 8.93 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.14 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 2.3 p30 -169.53 102.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -110.18 -27.52 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.518 ' C ' ' O ' ' A' ' 57' ' ' LEU . 20.3 t -31.76 -62.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.74 -54.87 3.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 16.3 m -62.84 -64.23 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' THR . 6.5 mt -32.89 -39.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 t30 -94.28 58.36 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.6 m -125.62 -92.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.11 171.55 24.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -55.12 106.85 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 9.1 m-30 -111.69 -178.88 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.476 ' CG2' ' HE2' ' A' ' 153' ' ' TYR . 11.8 m -145.61 86.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.0 t -53.36 132.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.662 ' CE2' HG21 ' A' ' 103' ' ' VAL . 7.4 m-85 -120.33 68.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -94.84 127.38 43.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -137.84 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.725 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.08 112.97 3.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 39.6 p -52.07 169.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -22.37 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -16.84 39.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -74.87 -45.27 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.725 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.7 m-85 -68.94 -40.0 79.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -51.25 -51.98 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.039 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 1.4 mtmm -38.67 -57.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' A' ' 158' ' ' VAL . 4.6 mt -47.29 149.4 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 138.55 23.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.2 -48.57 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 m -45.54 -47.46 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.59 -49.58 74.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.9 -57.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -49.54 -24.51 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' ASN . 8.1 tp10 -77.98 -45.25 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 87' ' ' LEU . 6.0 mt -64.0 -10.96 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -91.53 28.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 90' ' ' ASN . 14.6 t -163.15 -35.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.492 ' N ' HG23 ' A' ' 89' ' ' THR . 2.4 m-20 -65.1 164.85 12.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.4 p -155.14 22.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.13 -47.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -29.69 45.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.07 -43.35 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -51.1 -46.9 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -51.75 -41.59 61.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 98' ' ' LEU . 1.9 mt -63.14 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.494 ' CD2' HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -47.81 -59.08 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.548 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 18.4 p -52.75 -49.22 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 160' ' ' MET . 43.1 t80 -61.04 -16.88 48.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.654 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.9 m-70 -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -157.48 124.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 69' ' ' PHE . 53.5 t -105.75 138.18 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -80.25 104.48 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 67' ' ' THR . . . 133.73 113.23 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.7 140.42 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.3 m -156.97 171.98 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.1 164.76 14.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.402 ' CB ' HG13 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.96 51.38 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.79 -46.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 113' ' ' VAL . 65.8 m-20 -99.57 -30.23 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.96 -28.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 111' ' ' ASN . 9.4 p -55.48 161.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.39 -170.36 52.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 47.3 m -66.1 131.95 47.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.354 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.497 ' HD2' ' CG1' ' A' ' 103' ' ' VAL . 5.3 tpp180 -138.76 117.72 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.73 115.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.431 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 30.7 p -73.7 164.47 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.615 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -65.1 -25.47 67.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.562 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 28.8 tp60 -66.0 -21.83 66.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.78 6.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.58 -172.85 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -124.32 147.5 48.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.422 ' CG2' HD22 ' A' ' 159' ' ' LEU . 7.4 p -120.97 117.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.5 m -74.1 80.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.473 HG13 ' CG2' ' A' ' 135' ' ' VAL . 26.0 t -67.96 146.89 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 126' ' ' VAL . 4.7 m -141.43 176.28 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.502 ' HA3' ' CD2' ' A' ' 133' ' ' LEU . . . 171.16 154.25 9.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 132' ' ' SER . 16.4 pt20 -131.52 -48.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 173.84 -86.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -88.48 43.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 1.3 p 169.02 95.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.624 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 10.4 mt -82.44 157.8 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.501 ' CE ' ' OD1' ' A' ' 139' ' ' ASP . 32.2 mttt -136.63 159.08 42.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.473 ' CG2' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -154.08 121.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 36.09 53.31 1.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t30 86.57 -46.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -46.79 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.501 ' OD1' ' CE ' ' A' ' 134' ' ' LYS . 26.1 m-20 -123.55 110.4 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.624 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 54.6 t -55.67 110.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.77 -50.63 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.401 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 34.2 t -153.79 104.32 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.288 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.542 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.82 174.33 16.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 75.35 18.07 80.04 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.52 ' CG1' ' HA ' ' A' ' 22' ' ' VAL . 2.4 t -87.0 64.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.8 m -51.08 124.71 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.496 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.8 p -89.89 -108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -108.24 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.479 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -126.75 38.97 4.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.513 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . . . -176.15 167.89 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.578 HG22 ' CE2' ' A' ' 153' ' ' TYR . 33.1 m -104.11 179.92 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 0.9 OUTLIER -143.53 128.84 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.578 ' CE2' HG22 ' A' ' 151' ' ' THR . 80.4 m-85 -137.62 86.91 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.471 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -59.51 145.14 45.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.488 ' O ' ' CG2' ' A' ' 72' ' ' THR . 1.1 pt -138.22 170.8 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.412 ' O ' ' OG ' ' A' ' 157' ' ' SER . 7.0 p-10 -112.06 46.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.427 ' N ' ' HB1' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -171.62 143.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' A' ' 159' ' ' LEU . 32.0 t -78.6 69.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -32.03 129.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.694 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 12.0 mtt -123.24 148.47 55.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.425 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.1 127.4 10.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 60.79 5.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -124.38 62.45 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.72 -172.08 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.95 136.74 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.66 155.88 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 177.535 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 9' ' ' ALA . . . -47.19 -36.98 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -29.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -67.5 -75.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -52.94 -52.35 58.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -38.97 -54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.14 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -36.65 73.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' GLU . . . -79.69 -44.41 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -123.14 76.44 51.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -59.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 p -115.6 155.11 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 124.9 -166.62 17.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.65 10.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -89.23 42.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 78.2 p -119.17 172.87 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' A' ' 145' ' ' VAL . 61.3 t -68.02 -39.84 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.21 -36.68 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.97 -38.55 95.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.476 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 15.2 ptp -77.78 -14.34 59.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 27' ' ' GLN . 3.6 p -61.98 -64.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.483 ' N ' ' OG ' ' A' ' 26' ' ' SER . 3.9 mt-30 -37.85 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 148' ' ' ALA . 37.2 m-20 -85.43 142.34 37.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.1 Cg_endo -74.95 101.84 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.782 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' A' ' 31' ' ' ALA . 2.4 p 29.7 -104.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.626 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -19.85 -83.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 46.3 t -28.36 -54.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -41.67 -61.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -52.64 -26.38 13.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -80.04 44.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 35' ' ' SER . 26.7 m-80 -161.4 -40.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 2.3 m-20 -53.89 136.15 56.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 175.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.96 6.15 3.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.8 mm-40 -128.25 2.75 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' LEU . 43.6 mt -121.67 -32.93 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.2 p -35.5 -41.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -62.72 -54.46 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.33 -43.23 96.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.553 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -48.61 -60.9 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.17 -35.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . . . -67.75 -72.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -44.4 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.495 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 2.8 p -41.55 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.22 -17.57 1.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -19.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.726 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -39.22 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.578 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 1.8 m-80 -128.83 105.45 18.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -108.84 -2.92 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.578 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -117.74 176.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.2 p30 174.51 99.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.666 ' O ' ' C ' ' A' ' 58' ' ' VAL . 4.1 mm? -98.25 -51.43 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.666 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -14.53 -79.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -36.93 -59.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 57' ' ' LEU . 36.0 m -51.89 -44.73 63.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.564 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -60.72 -32.69 71.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.35 32.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.7 m -90.27 -93.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.642 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.22 -175.28 15.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -47.02 106.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.231 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -114.96 -176.48 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.655 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 13.5 m -156.14 90.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.3 t -53.73 139.55 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CE2' HG23 ' A' ' 67' ' ' THR . 10.6 m-85 -128.62 64.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -95.13 133.4 26.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -135.579 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.755 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.0 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 24.8 p -58.98 179.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -62.21 -28.02 69.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -15.69 50.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' O ' ' CG2' ' A' ' 158' ' ' VAL . . . -75.44 -42.44 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.755 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 54.7 m-85 -79.88 -35.01 38.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -61.02 -32.56 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -51.97 -54.98 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.73 151.72 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.39 33.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.33 -54.99 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -39.02 -50.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.94 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.21 -51.72 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.4 ' C ' ' N ' ' A' ' 86' ' ' GLU . 41.3 mm -58.39 -56.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.36 -22.83 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 89' ' ' THR . 1.5 tp10 -81.26 -49.97 10.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.501 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 5.6 mt -51.91 -42.49 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -67.43 -3.08 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.48 HG21 ' O ' ' A' ' 86' ' ' GLU . 1.1 t -132.04 11.37 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 38.4 m-20 -109.5 -160.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.6 t 169.74 -28.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.5 p -105.81 25.65 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -45.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.481 ' CD2' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -73.43 -52.61 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.47 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.2 m -39.28 -45.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.534 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.71 -45.42 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' LEU . 1.5 mt -60.82 -58.02 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 97' ' ' ILE . 1.1 mt -47.42 -58.45 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.543 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 1.8 p -52.28 -46.46 65.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 160' ' ' MET . 10.4 t80 -62.67 -15.81 54.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.707 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 18.6 m-70 -92.25 20.7 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -155.07 130.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 69' ' ' PHE . 4.1 t -105.2 162.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -121.71 101.93 7.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 160.77 -48.05 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.655 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 79.59 127.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 6.0 m -162.08 125.28 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 p -50.18 166.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 48.67 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.28 -44.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 21.9 m-20 -98.77 -27.54 13.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.5 p -52.54 -20.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 127' ' ' THR . 9.8 p -68.07 150.69 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.28 -102.58 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.8 m -135.57 116.05 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.455 ' CB ' HG13 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -108.17 127.91 54.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.68 101.73 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.504 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 7.3 p -61.56 155.79 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.589 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -61.3 -24.82 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.582 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.33 -27.2 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.93 -23.81 9.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.531 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -76.31 -178.34 4.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.4 p -112.48 153.53 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG13 ' CB ' ' A' ' 116' ' ' ARG . 3.2 p -128.56 103.31 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.8 m -63.39 103.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 135' ' ' VAL . 25.1 t -96.43 157.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.43 ' HA ' ' CG2' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.94 166.72 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.444 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -175.41 150.46 10.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 131' ' ' ASN . 17.3 pt20 -179.34 122.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 59.6 -82.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 129' ' ' GLN . 18.2 m120 -146.58 153.93 40.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 132' ' ' SER . 0.1 OUTLIER 71.31 89.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.444 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 7.7 mp -78.2 172.88 12.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 9.2 mttt -137.78 155.5 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 159' ' ' LEU . 1.5 t -151.97 119.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.05 44.43 9.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 6.9 t30 86.89 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -58.39 174.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.459 ' N ' ' OD2' ' A' ' 156' ' ' ASP . 14.3 m-20 -121.13 112.98 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 134' ' ' LYS . 72.9 t -57.27 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.2 t -61.52 -61.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.1 t -145.59 105.47 4.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.01 167.18 12.26 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.86 16.07 68.72 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.49 HG12 ' CG2' ' A' ' 22' ' ' VAL . 1.5 t -88.37 57.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.1 m -47.41 127.23 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 3.2 p -92.75 -106.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' ASP . . . -91.85 -72.61 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -130.11 25.38 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -150.34 144.55 25.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.63 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 23.9 m -81.61 172.87 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 1.7 t -138.54 125.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.63 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.2 m-85 -135.3 87.1 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.483 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.8 OUTLIER -65.58 120.62 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.624 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 1.2 pp -113.38 178.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 11.3 p-10 -118.97 52.27 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.465 ' O ' HD12 ' A' ' 155' ' ' ILE . 1.1 m -176.56 125.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' A' ' 159' ' ' LEU . 22.0 t -70.02 70.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.552 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 62.5 mt -29.15 145.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.596 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.29 143.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.534 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 135.23 18.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.99 3.27 5.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.47 160.32 36.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -84.54 -171.02 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.9 m -133.08 141.91 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.13 153.26 10.05 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.97 98.73 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.76 -34.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -70.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -45.83 -50.46 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' ALA . 59.7 t80 -43.46 -65.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.7 -47.88 7.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.89 -39.21 38.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.06 -47.54 14.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -122.63 77.48 47.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -25.35 11.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.3 p -132.2 -168.16 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.62 179.21 51.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.42 1.075 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.69 20.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -82.05 6.17 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 90.4 p -86.6 169.04 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG2' HG12 ' A' ' 145' ' ' VAL . 55.7 t -63.92 -37.33 79.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -31.91 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -62.06 -28.24 70.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.469 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 21.2 ptp -88.43 -9.74 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.468 ' HA ' ' C ' ' A' ' 147' ' ' THR . 43.2 m -76.89 -26.25 53.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.6 -26.03 64.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.31 169.13 6.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' CB ' ' OD1' ' A' ' 62' ' ' ASN . 18.3 Cg_endo -75.03 161.15 39.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.62 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 9.8 p -36.13 -34.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -65.53 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 31' ' ' ALA . 16.0 t -33.19 -48.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB2' ' CG2' ' A' ' 147' ' ' THR . . . -37.03 -54.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -74.47 -39.56 62.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.432 ' CB ' HG21 ' A' ' 44' ' ' THR . 5.8 t -47.54 -25.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.79 -46.76 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 4.0 t-20 -54.1 130.55 59.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -171.797 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.04 1.61 7.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 2.0 mm-40 -116.95 -7.78 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 59.8 mt -107.08 -28.08 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' LEU . 2.9 p -36.83 -32.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -69.05 -55.88 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.512 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.01 -52.36 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.616 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.5 m -46.93 -52.48 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -46.7 -36.12 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.9 -69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.616 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.79 -62.08 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.482 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 97.3 p -44.41 -61.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 144.63 -22.96 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -38.78 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 -48.14 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -132.04 127.19 20.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 5.09 4.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.43 3.24 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.45 140.5 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.0 p30 -162.87 105.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 13.9 mt -109.87 -20.85 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 19.6 t -38.4 -33.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.2 t70 -77.46 -54.27 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' LEU . 92.5 m -58.99 -61.79 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.94 -37.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 29' ' ' PRO . 1.8 m-80 -85.2 48.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB2' ' OH ' ' A' ' 66' ' ' TYR . 2.6 m -106.09 -94.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -116.52 178.6 17.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -50.12 108.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 8.4 m-30 -111.97 -170.17 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.533 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 41.6 m -152.49 86.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.62 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 35.2 t -52.54 135.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.609 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 16.9 m-85 -126.54 72.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.656 ' C ' HD11 ' A' ' 155' ' ' ILE . . . -107.06 125.48 32.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 -136.303 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.863 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 118.53 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 4.0 p -59.26 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.14 10.33 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.6 -9.34 11.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.03 -55.82 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.863 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 63.8 m-85 -64.84 -32.0 73.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -58.49 -38.53 77.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 24.3 mtpt -51.71 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.539 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -37.47 154.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.51 23.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.13 -51.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -47.39 84.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.79 -57.08 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.54 -23.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 89' ' ' THR . 1.1 tp10 -81.54 -47.92 12.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 6.4 mt -53.56 -22.66 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 12.5 mttt -88.7 23.4 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 86' ' ' GLU . 10.2 t -168.39 34.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.517 ' ND2' ' CD2' ' A' ' 93' ' ' LEU . 79.0 m-20 -122.53 -41.78 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER 39.39 29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 90' ' ' ASN . 1.8 m -149.71 -53.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' CD2' ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -81.12 -17.5 49.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -89.56 -38.57 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -54.73 -43.98 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.468 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -56.1 -37.78 69.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.512 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 1.0 OUTLIER -64.33 -55.26 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -46.9 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.466 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 67.6 p -43.2 -52.28 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 5.4 t80 -58.45 -18.14 26.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.642 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 53.5 m-70 -93.98 23.71 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -164.19 115.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.609 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 15.7 t -102.72 146.47 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.86 113.36 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.485 ' O ' ' NH1' ' A' ' 116' ' ' ARG . . . 124.63 97.65 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.428 HE21 ' N ' ' A' ' 150' ' ' ALA . 0.0 OUTLIER -58.96 131.84 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.467 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 38.6 m -145.69 134.34 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 1.6 p -67.66 163.17 51.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.453 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.03 46.08 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.31 18.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' VAL . 23.5 m-80 -151.72 -50.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.28 -40.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 111' ' ' ASN . 3.2 p -40.34 138.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.49 -171.74 17.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.786 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.485 ' NH1' ' O ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -111.22 113.77 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.486 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 32.0 tt0 -69.5 103.62 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.499 ' CG2' HG22 ' A' ' 103' ' ' VAL . 4.7 p -80.94 173.33 12.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.463 ' C ' ' N ' ' A' ' 121' ' ' GLY . 17.5 mt -55.77 -57.83 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.468 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -40.0 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 106.39 -18.77 38.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.425 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -76.03 142.27 41.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 m -84.68 128.51 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.489 HG12 ' CG2' ' A' ' 118' ' ' THR . 7.3 p -100.98 99.69 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 27.8 m -65.04 77.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 135' ' ' VAL . 40.2 t -63.99 165.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.438 ' HA ' ' CG2' ' A' ' 113' ' ' VAL . 17.3 m -155.77 173.62 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -152.78 129.34 2.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.69 -174.36 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.05 108.48 2.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.5 m120 46.81 57.01 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.52 106.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 133' ' ' LEU . 6.8 mp -97.38 163.52 12.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.521 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -130.06 154.5 47.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ASN . 2.0 t -141.29 103.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 65.17 -58.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.521 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -156.31 -39.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.478 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -59.85 170.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 141' ' ' VAL . 21.8 m-20 -114.54 122.29 46.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.1 136.33 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.1 t -114.55 -56.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.2 t -144.28 96.74 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.336 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.32 163.28 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.5 58.23 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.489 HG12 ' CG2' ' A' ' 22' ' ' VAL . 1.5 t -89.1 52.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.596 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 61.5 m -47.2 126.94 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.529 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.9 p -84.95 -111.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -102.13 -38.55 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -158.98 47.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.545 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -178.45 132.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 146' ' ' SER . 17.3 m -71.35 172.34 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.485 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -143.5 125.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.589 ' CE2' HG22 ' A' ' 151' ' ' THR . 96.8 m-85 -133.25 94.66 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.547 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 15.3 mtm -70.71 115.81 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.656 HD11 ' C ' ' A' ' 70' ' ' ALA . 1.2 pp -109.56 168.07 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.487 ' O ' ' OG ' ' A' ' 157' ' ' SER . 7.0 p-10 -100.15 44.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.563 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -174.67 140.62 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.582 HG22 ' CG ' ' A' ' 160' ' ' MET . 0.8 OUTLIER -76.54 32.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.624 ' O ' ' CB ' ' A' ' 160' ' ' MET . 35.4 mt 36.73 -92.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.653 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 4.9 mtp 92.53 137.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.99 138.96 23.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 78.89 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.051 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.949 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -87.44 84.38 7.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 0.781 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.45 -178.99 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.4 m -124.66 134.62 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 141' ' ' VAL . . . 111.85 152.3 11.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -175.033 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.93 -67.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -36.47 -35.49 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.54 -30.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -86.0 -66.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -45.22 -49.69 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 79.3 t80 -53.11 -65.57 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.66 -39.67 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.42 -30.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 -33.31 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 16.7 m-80 -123.57 79.28 55.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.3 p -114.92 -15.97 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -45.41 177.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.63 21.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.548 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -104.91 32.45 4.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.7 p -107.68 173.33 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG2' HG11 ' A' ' 145' ' ' VAL . 43.2 t -56.61 -48.32 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 26' ' ' SER . 54.2 tt0 -82.39 -47.41 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -47.14 25.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.538 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.5 ptp -68.66 -17.4 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 3.6 t -64.68 -40.84 96.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -66.26 -10.87 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 66.1 m-20 -100.67 146.4 32.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.02 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.699 ' O ' ' C ' ' A' ' 31' ' ' ALA . 9.7 p 29.92 -119.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -10.14 -71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.6 -62.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -30.81 -75.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 40' ' ' LEU . . . -50.62 -37.38 39.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -59.18 -15.64 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.7 m-80 -113.17 -18.94 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.619 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 2.7 m120 -61.0 128.34 89.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 169.586 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -75.0 7.67 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.634 ' C ' HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.61 -18.92 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.902 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -103.92 -14.51 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -41.72 -31.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -72.25 -49.35 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.04 -57.92 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.536 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.1 m -48.25 -63.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -36.62 -37.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.78 -70.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -49.87 -60.11 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.486 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.05 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 154.83 -22.81 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -43.14 -26.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 1.7 tp -92.01 -40.51 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.51 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.32 121.19 10.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 8.95 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -116.34 9.91 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 t -130.35 151.71 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.1 p30 -169.56 109.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' THR . 16.6 mt -126.95 -38.32 2.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.52 ' C ' ' O ' ' A' ' 57' ' ' LEU . 7.4 p -31.41 -59.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' H ' ' CG1' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -45.07 -52.62 8.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -60.65 -58.72 7.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HA ' ' CE2' ' A' ' 66' ' ' TYR . 5.1 mt -35.61 -34.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 60' ' ' THR . 34.3 t30 -88.33 53.3 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.29 110.0 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 87.87 138.16 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.4 mp0 -52.23 104.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 119' ' ' LEU . 6.5 m-30 -109.22 -174.85 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.517 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 35.7 m -149.32 90.71 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 4.8 t -54.51 142.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.603 ' CE2' HG23 ' A' ' 103' ' ' VAL . 11.0 m-85 -133.21 59.64 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -99.78 129.03 29.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -136.471 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.825 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.99 108.43 2.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.559 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 71.6 p -56.04 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.633 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -87.18 -8.59 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.577 ' N ' HD21 ' A' ' 73' ' ' ASN . . . -106.32 21.69 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.07 -36.96 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 41.4 m-85 -86.52 -24.7 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.8 m -71.56 -7.5 48.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 74' ' ' ALA . 3.4 mtmm -81.27 -10.83 59.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 158' ' ' VAL . 2.4 mt -110.69 155.94 41.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.23 42.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.83 -38.25 61.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.37 -49.4 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -49.34 77.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.43 -39.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.44 -30.35 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.15 -39.33 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 6.1 mt -62.26 -35.37 78.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.489 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 15.7 mttt -73.33 1.85 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.0 t -144.7 36.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' SER . 96.6 m-20 -119.05 -85.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.8 t 83.56 -3.34 1.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p -125.55 -41.44 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -25.33 20.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.42 -57.18 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 t -41.87 -41.0 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.94 -49.66 74.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.5 -51.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 94' ' ' LEU . 1.6 mt -51.54 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 22.6 p -49.44 -45.68 46.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.656 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.4 t80 -59.42 -25.21 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.733 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 20.8 m-70 -85.22 16.31 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.433 ' HB ' HD12 ' A' ' 119' ' ' LEU . 2.2 t -148.85 147.31 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.603 HG23 ' CE2' ' A' ' 69' ' ' PHE . 30.0 t -129.99 141.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.97 99.94 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.36 90.05 0.28 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' O ' ' OG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -48.25 140.54 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.429 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 22.8 m -159.8 129.04 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -60.27 165.0 5.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.84 -46.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -96.84 -25.9 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.66 -26.96 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.46 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 10.2 p -58.9 154.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 113' ' ' VAL . . . 83.55 -167.29 44.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 25.1 m -67.95 122.37 18.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' CG ' HG13 ' A' ' 103' ' ' VAL . 4.9 tpm_? -130.43 133.41 46.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.472 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 40.4 tt0 -73.67 128.12 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 68.5 p -103.22 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 66' ' ' TYR . 14.2 mt -59.59 -49.08 79.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.495 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 22.3 tp60 -49.95 -20.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.71 -30.24 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.81 175.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 0.809 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.438 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 0.3 OUTLIER -113.46 138.68 49.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 p -106.02 121.75 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.3 m -73.72 72.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 135' ' ' VAL . 27.7 t -60.76 149.28 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.445 ' N ' HG12 ' A' ' 126' ' ' VAL . 7.4 m -148.1 176.07 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 133' ' ' LEU . . . -156.83 118.72 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.54 -155.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 38.04 -124.58 1.38 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -39.5 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.97 -44.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.616 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 9.4 mt -154.99 161.17 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 127' ' ' THR . 60.7 mttt -139.98 160.78 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -153.97 120.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.03 48.13 6.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.2 t30 87.79 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.466 ' HB2' ' CD2' ' A' ' 159' ' ' LEU . . . -52.18 176.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 141' ' ' VAL . 1.5 m-20 -123.23 116.75 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 41.7 t -58.43 88.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 154' ' ' MET . 4.2 t -57.08 -59.48 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 145' ' ' VAL . 43.5 t -144.64 98.9 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.576 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.88 168.86 13.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.29 27.1 70.54 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.494 ' CG2' ' SG ' ' A' ' 142' ' ' CYS . 6.6 t -100.65 51.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.1 m -36.59 112.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 0.9 OUTLIER -75.82 -97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -107.27 -78.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -121.88 43.17 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 66' ' ' TYR . . . -176.77 136.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.631 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 12.6 m -64.4 174.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.492 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -140.41 122.88 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.631 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.3 m-85 -135.88 84.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.559 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 1.3 mpp? -70.9 112.17 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.1 pp -102.67 173.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' A' ' 157' ' ' SER . 17.2 p-10 -111.55 45.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.444 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -173.34 119.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.745 ' CG2' ' O ' ' A' ' 158' ' ' VAL . 1.0 OUTLIER -67.5 74.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.586 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 21.3 mt -32.84 154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.656 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 mtt -134.01 144.14 50.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 67.2 5.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 179.999 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' LEU . 9.2 t70 -118.55 131.61 56.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 1.9 mm? 43.65 -167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.683 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -87.98 -176.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.683 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . 68.59 159.54 1.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 144.511 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 18.1 Cg_endo -75.02 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 8' ' ' CYS . . . -41.64 -58.8 2.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -37.66 -35.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . -56.57 -60.9 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -76.7 -51.69 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLY . 52.0 t80 -35.71 -67.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.22 -56.06 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.37 -36.93 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.18 -44.4 19.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -128.24 76.46 78.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.03 -62.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -123.03 107.28 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . -179.38 -160.63 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -91.24 52.33 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 67.2 p -126.24 167.5 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 145' ' ' VAL . 2.5 m -66.6 -11.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -106.58 -45.48 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.09 -17.88 11.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.428 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 21.9 ptp -99.0 -9.86 23.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.794 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 147' ' ' THR . 26.3 t -75.91 -37.09 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.21 -3.09 47.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.31 161.4 35.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 139.24 24.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -22.7 -50.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -47.3 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 14.8 t -44.21 -38.39 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.492 ' HB3' ' CG2' ' A' ' 147' ' ' THR . . . -44.95 -25.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' VAL . . . -101.92 -32.65 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.59 ' N ' ' HG1' ' A' ' 44' ' ' THR . 12.8 p -57.61 -17.02 12.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 53.7 m-80 -79.2 -39.84 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HB3' ' CG ' ' A' ' 40' ' ' LEU . 16.2 t-20 -75.96 138.45 69.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -156.097 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.06 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -122.58 -4.0 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CG ' ' HB3' ' A' ' 37' ' ' ASN . 2.4 mt -121.93 -6.76 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -56.95 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.531 HG22 ' CD2' ' A' ' 76' ' ' PHE . 5.9 t -61.55 -32.26 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 1.1 tp -64.11 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.59 ' HG1' ' N ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -46.49 -60.28 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -38.06 -38.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 55' ' ' VAL . . . -66.73 -71.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.576 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -48.76 -61.46 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.561 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 38.5 p -42.95 -57.72 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 139.68 -22.01 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 13.3 mt-30 -37.71 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -84.55 -51.12 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.488 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -122.66 128.18 25.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 2.7 6.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -115.87 -2.2 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 52' ' ' ASN . 3.6 m -114.56 130.69 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 4.0 p30 -157.83 84.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -95.54 14.05 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 1.3 t -69.91 -65.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.63 -43.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 62' ' ' ASN . 8.3 m -70.76 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 2.6 mt -39.57 -29.23 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 60' ' ' THR . 44.6 t30 -95.52 57.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 62' ' ' ASN . 4.1 m 178.16 106.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.15 142.63 12.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mp0 -63.0 105.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.7 m-30 -114.83 -176.44 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 19.7 m -147.75 86.53 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 21.6 t -52.44 135.15 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.58 ' CE2' HG22 ' A' ' 103' ' ' VAL . 11.6 m-85 -123.75 70.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -95.13 129.38 35.62 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -139.793 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.774 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.04 122.2 7.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 36.0 p -64.8 175.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -67.03 -16.87 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.29 -20.04 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB2' ' CA ' ' A' ' 157' ' ' SER . . . -74.94 -44.0 51.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.5 m-85 -71.46 -42.08 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -55.32 -44.16 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -40.69 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.75 153.28 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 138.48 22.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -38.58 -36.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -57.47 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.65 -46.42 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 87' ' ' LEU . 32.1 mm -62.12 -71.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.511 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 3.1 t70 -40.47 -28.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.459 ' N ' ' C ' ' A' ' 84' ' ' ILE . 1.0 OUTLIER -73.69 -46.54 45.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 84' ' ' ILE . 4.6 mt -49.79 -32.86 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.518 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -81.96 29.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 87' ' ' LEU . 6.3 t -172.52 31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 86.2 m-20 -119.79 -72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 8.9 t 75.38 0.02 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.44 -48.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -17.95 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -87.49 -45.99 10.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' ' OG1' ' A' ' 99' ' ' THR . 47.6 m -57.58 -46.64 83.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 1.2 m -51.68 -35.06 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 98' ' ' LEU . 5.0 mt -68.14 -64.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -41.23 -56.17 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.511 ' CB ' ' HG2' ' A' ' 120' ' ' GLN . 1.1 p -51.47 -50.97 58.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.702 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.4 t80 -60.29 -16.46 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.651 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 37.5 m-70 -93.74 23.4 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.568 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -157.89 127.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.58 HG22 ' CE2' ' A' ' 69' ' ' PHE . 20.7 t -106.97 160.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -102.57 105.11 15.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 126.99 86.16 0.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -36.66 131.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.7 m -131.89 170.89 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.52 162.41 22.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.49 ' HB2' ' CG2' ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.52 -46.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.04 -22.2 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.29 -24.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.439 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 15.6 t -61.13 131.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.16 164.18 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.69 86.94 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -173.53 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -130.96 98.91 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.442 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 66.8 p -54.53 150.6 8.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.585 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -53.21 -24.05 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.577 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -62.88 -46.59 87.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 139.19 -26.36 2.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.433 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -77.62 161.11 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.96 138.02 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.34 106.68 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.5 m -69.12 105.38 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' CG2' ' A' ' 135' ' ' VAL . 45.4 t -99.64 140.51 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.7 m -135.57 175.4 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 128.98 -111.21 1.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 19.4 tt0 85.47 83.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 -106.65 3.25 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' SER . 6.3 m120 -94.69 122.79 37.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 m 87.37 123.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.487 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 5.9 mt -128.46 141.12 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.59 164.59 23.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.519 ' O ' ' CB ' ' A' ' 138' ' ' ALA . 1.7 t -166.33 129.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 29.48 79.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER 39.54 49.83 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 135' ' ' VAL . . . -147.96 172.03 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.7 m-20 -122.59 121.56 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 74.5 t -61.42 112.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 72' ' ' THR . 2.4 t -80.63 -43.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.452 ' HA ' HG12 ' A' ' 4' ' ' VAL . 36.5 t -163.06 119.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -122.46 -171.63 13.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 60.97 18.74 55.24 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.489 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.4 t -86.57 57.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -47.2 133.44 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 3.2 p -100.79 -105.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -104.05 -65.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.439 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -131.07 38.47 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -171.61 154.71 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.583 HG21 ' CE2' ' A' ' 153' ' ' TYR . 58.5 m -92.73 176.5 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.489 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.0 OUTLIER -140.4 131.43 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.583 ' CE2' HG21 ' A' ' 151' ' ' THR . 76.8 m-85 -140.33 91.33 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.535 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -63.5 145.28 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.546 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -138.32 176.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -112.85 31.08 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.52 ' C ' ' H ' ' A' ' 159' ' ' LEU . 1.9 m -156.28 145.07 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.626 ' O ' ' N ' ' A' ' 160' ' ' MET . 89.3 t -73.73 13.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 157' ' ' SER . 7.2 mt 48.38 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.702 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 21.9 mtp 77.2 138.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.436 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 127.2 10.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.442 ' HD3' ' CZ ' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 62.65 28.92 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.0 164.2 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.83 137.8 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.24 156.08 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 177.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 11' ' ' TYR . . . -62.11 -37.11 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -29.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.93 -75.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -44.6 -52.07 8.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ALA . 52.3 t80 -37.31 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.9 -51.42 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.58 -47.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.9 -52.36 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.27 80.55 12.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.01 -27.99 9.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.5 p -140.89 -159.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.19 -171.13 54.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.69 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -85.93 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.511 ' O ' ' CE ' ' A' ' 25' ' ' MET . 77.5 p -129.46 177.89 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' CG1' ' A' ' 145' ' ' VAL . 4.9 t -72.31 -40.51 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.0 tp60 -89.5 -49.71 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.17 -27.8 2.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.527 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 12.9 ptp -92.96 -22.51 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLN . 2.2 m -64.82 -12.75 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -93.28 11.09 29.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 76.6 m-20 -128.28 152.01 77.28 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 96.9 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.686 ' O ' ' C ' ' A' ' 31' ' ' ALA . 3.8 p 29.86 -113.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.686 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -12.06 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.55 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 56.5 t -34.34 -60.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -40.26 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -48.01 -29.35 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 32' ' ' VAL . 1.6 p -78.72 47.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -160.16 -40.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.486 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -50.55 133.16 26.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 171.38 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 3.64 5.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 2.5 mm-40 -121.8 -3.3 9.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 38.8 mt -114.13 -30.84 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 37' ' ' ASN . 2.6 p -37.79 -33.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.679 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.1 t -70.54 -51.72 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' N ' ' CG2' ' A' ' 42' ' ' THR . 0.0 OUTLIER -60.94 -54.35 46.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -47.0 -60.72 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -37.82 -40.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.463 ' CA ' ' OD1' ' A' ' 52' ' ' ASN . . . -64.62 -73.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -45.59 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.464 ' HA ' HG11 ' A' ' 58' ' ' VAL . 11.9 p -41.39 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 152.85 -19.42 0.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.98 -22.14 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.746 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -109.36 -46.65 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.617 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -110.79 98.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 11.06 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -122.87 2.98 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.617 ' CG2' ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -125.06 175.62 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.7 p30 175.2 113.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.601 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.6 OUTLIER -123.99 -41.1 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -22.58 -70.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' VAL . 5.0 m-20 -37.58 -57.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 57' ' ' LEU . 14.1 m -57.78 -55.91 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' THR . 8.5 mt -36.16 -43.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -85.01 50.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 60' ' ' THR . 26.7 t -112.15 -91.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -106.13 176.06 21.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.2 mt-30 -56.24 106.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.8 m-30 -110.56 -174.36 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.504 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 24.8 m -151.26 87.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.431 ' HB ' ' HA ' ' A' ' 152' ' ' VAL . 38.9 t -52.7 133.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.593 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.9 m-85 -125.11 66.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 40' ' ' LEU . . . -95.02 131.81 29.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -138.347 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.749 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 114.41 4.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 19.8 p -58.47 179.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -73.94 -7.87 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -90.88 -22.84 20.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.447 ' HB3' ' N ' ' A' ' 157' ' ' SER . . . -75.85 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.749 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.3 m-85 -55.18 -43.36 74.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -48.73 -54.46 14.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' SER . 6.6 mtmt -37.26 -57.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -49.82 145.12 9.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.08 33.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.42 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -49.61 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -53.07 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.52 -57.28 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.91 -22.44 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 4.2 tp10 -80.18 -50.61 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . 4.7 mt -55.08 -26.46 37.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.486 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 22.9 mttt -78.73 1.77 21.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 p -141.48 12.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 26.7 m-20 -107.37 -163.02 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.462 ' O ' ' HB ' ' A' ' 95' ' ' THR . 5.3 p 173.83 -30.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -105.54 33.76 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.81 -44.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.552 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -77.32 -52.03 9.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 91' ' ' SER . 1.8 m -40.83 -44.11 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.443 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -54.24 -48.28 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 161' ' ' PRO . 1.3 mt -57.5 -55.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.517 ' CD2' HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -50.21 -61.5 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' CD2' ' A' ' 57' ' ' LEU . 2.2 p -49.87 -41.28 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.712 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.8 t80 -67.48 -17.85 64.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.709 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 26.8 m-70 -90.31 19.56 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.509 HG13 ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.77 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.593 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 56.0 t -103.06 152.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.17 95.88 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.63 100.39 0.33 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 133.23 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.913 ' HG1' ' NH2' ' A' ' 116' ' ' ARG . 17.5 m -152.63 147.16 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.4 p -78.69 164.5 55.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 49.07 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.14 21.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 112' ' ' VAL . 5.3 m120 -157.63 -52.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.46 -42.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 111' ' ' ASN . 3.0 t -39.76 159.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 113' ' ' VAL . . . 105.67 -136.65 13.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.8 m -126.93 99.11 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.913 ' NH2' ' HG1' ' A' ' 107' ' ' THR . 0.0 OUTLIER -92.46 -179.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -125.66 97.78 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.565 HG21 ' CD1' ' A' ' 100' ' ' TYR . 19.3 p -54.45 167.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.509 ' CD2' HG13 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -67.83 -25.37 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 30.9 tp60 -66.45 -11.95 54.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.5 -21.84 42.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.498 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -77.91 168.09 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -100.82 144.51 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.34 117.13 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -78.98 91.02 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.437 HG13 ' CG2' ' A' ' 135' ' ' VAL . 24.3 t -86.31 147.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.32 172.97 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.59 160.01 10.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -109.91 -80.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.753 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -135.9 -67.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 -84.31 99.6 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.6 m 82.51 108.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 133' ' ' LEU . 4.3 mp -111.98 171.67 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 9.3 mttt -131.9 159.91 37.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.437 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.4 t -156.98 118.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 48.86 39.5 25.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.1 t30 89.14 -29.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 155' ' ' ILE . . . -61.1 174.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.6 m-20 -122.91 112.09 17.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.7 97.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.5 t -66.65 -52.35 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 17.9 t -150.94 105.24 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.85 165.01 12.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.05 17.66 62.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.514 ' CG1' HG23 ' A' ' 22' ' ' VAL . 2.1 t -88.22 53.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.3 m -44.57 122.95 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.527 ' CG2' ' SD ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -87.58 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -112.34 -74.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -120.99 34.79 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.497 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -167.53 147.85 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.582 HG23 ' CE2' ' A' ' 153' ' ' TYR . 20.6 m -85.12 176.76 8.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.474 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -141.51 126.23 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.582 ' CE2' HG23 ' A' ' 151' ' ' THR . 91.2 m-85 -136.39 88.39 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 141' ' ' VAL . 2.0 mtm -60.67 137.79 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.566 ' CD1' ' O ' ' A' ' 157' ' ' SER . 1.4 pp -135.26 161.35 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 13.5 p-10 -104.08 51.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.566 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 1.4 m -169.14 141.09 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.557 ' O ' ' C ' ' A' ' 159' ' ' LEU . 62.7 t -82.13 68.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 18.9 mt -27.27 140.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.712 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -133.04 141.52 41.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.443 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.498 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.98 58.07 4.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 54.59 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.17 -178.66 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -141.03 9.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -128.59 151.3 18.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -169.307 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.98 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . -39.15 -58.31 1.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -36.24 -34.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -63.5 -64.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 4.0 tt0 -70.55 -54.46 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.6 t80 -39.65 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.62 -45.56 4.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -40.32 -32.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.85 -41.18 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -121.01 79.39 33.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -41.44 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' OG ' ' A' ' 21' ' ' SER . 77.3 p -124.79 -164.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.64 -174.93 50.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.33 20.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 36' ' ' ASN . . . -103.14 45.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.432 ' OG ' ' C ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -125.19 173.52 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HA ' ' CG1' ' A' ' 145' ' ' VAL . 3.5 t -63.42 -44.25 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -87.95 -47.58 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.21 -51.84 7.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.529 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 7.4 ptp -57.04 -20.85 26.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 5.3 t -61.35 -38.89 88.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.0 -7.79 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.407 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 74.7 m-20 -104.63 145.14 30.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.55 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.94 98.03 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.707 ' O ' ' C ' ' A' ' 31' ' ' ALA . 12.4 p 30.68 -122.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.24 -70.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.55 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 79.4 t -31.06 -63.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -30.64 -70.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' C ' HG23 ' A' ' 44' ' ' THR . . . -48.88 -45.61 41.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.583 ' N ' ' CG2' ' A' ' 44' ' ' THR . 4.7 m -51.78 -20.26 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.551 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 1.4 m-80 -138.99 28.76 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -85.13 133.17 43.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 129.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.634 ' C ' HD22 ' A' ' 40' ' ' LEU . 1.2 mt-10 -116.01 -18.59 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.881 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.16 -16.58 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -38.28 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 40' ' ' LEU . 4.3 m -72.93 -54.72 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' CD1' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -53.99 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.583 ' CG2' ' N ' ' A' ' 35' ' ' SER . 81.3 p -47.78 -60.56 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.52 -39.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -66.06 -69.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.56 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -51.47 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.36 -67.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.26 -18.62 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -46.16 -24.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -98.32 -53.62 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' ND2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -120.33 116.13 32.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 13.01 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.9 mt-30 -119.59 8.66 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 39.0 t -127.99 158.13 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -177.27 107.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 60' ' ' THR . 13.7 mt -116.6 -36.87 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.544 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.3 p -28.33 -72.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.86 -50.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.4 m -66.77 -55.8 13.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.66 -26.47 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' VAL . 38.8 t30 -91.09 49.4 1.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -177.28 104.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.1 138.67 8.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.1 mt-30 -62.14 101.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.4 m-30 -112.19 -175.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.512 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 14.9 m -143.48 86.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.614 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 61.7 t -52.34 134.61 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -125.42 68.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.554 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -102.13 124.9 38.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -139.387 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.774 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.562 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 76.8 p -56.39 -160.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.47 -25.9 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.99 -2.15 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -95.46 -48.72 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 51.1 m-85 -77.85 -36.78 49.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -55.96 -21.82 23.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 4.4 mtmt -66.14 -51.34 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 158' ' ' VAL . 51.9 mt -62.75 151.55 84.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.9 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.48 -33.53 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.96 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.97 -45.13 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.2 -45.63 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -23.28 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -79.45 -47.89 14.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 6.9 mt -59.49 -16.63 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 89' ' ' THR . 21.3 mtmt -88.9 15.19 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.44 32.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 97.2 m-20 -116.81 -73.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.49 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 29.5 t 67.22 11.06 8.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.5 p -133.74 -44.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.401 HD21 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -89.12 -22.86 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -85.49 -47.44 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.429 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 38.1 m -50.96 -34.67 29.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -62.84 -36.88 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 159' ' ' LEU . 4.0 mt -69.81 -57.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -43.97 -62.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' HD21 ' A' ' 119' ' ' LEU . 3.3 p -49.04 -49.69 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.644 ' CE2' ' O ' ' A' ' 160' ' ' MET . 30.3 t80 -62.41 -9.1 7.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.711 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 21.8 m-70 -101.17 25.16 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -157.85 120.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.585 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 73.0 t -102.06 139.79 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 116.38 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.22 86.01 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.3 OUTLIER -39.15 146.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 0.736 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.0 m -159.86 159.14 32.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -98.76 165.58 14.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.61 -46.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -99.26 -30.93 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -42.72 -33.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.415 ' N ' HG13 ' A' ' 112' ' ' VAL . 2.4 p -55.97 131.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.44 -170.6 13.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.4 m -71.14 110.09 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.55 125.1 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.481 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 29.4 tt0 -70.25 124.57 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.529 ' CG2' HG12 ' A' ' 124' ' ' VAL . 43.9 p -96.29 170.82 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.488 HD21 ' CG2' ' A' ' 99' ' ' THR . 0.3 OUTLIER -51.37 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -36.16 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 115.07 -23.83 11.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -63.21 -170.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 p -123.41 139.01 54.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.529 HG12 ' CG2' ' A' ' 118' ' ' THR . 11.0 p -114.35 106.17 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 m -74.37 79.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 ' C ' ' CG2' ' A' ' 127' ' ' THR . 21.4 t -67.26 154.63 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.469 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -153.52 179.11 9.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 150.55 161.8 10.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 3.3 tt0 156.57 96.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 109.11 64.5 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.0 m120 41.8 54.29 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.4 94.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 133' ' ' LEU . 2.8 mp -102.1 142.99 32.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -116.51 166.52 12.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 138' ' ' ALA . 2.1 t -155.79 123.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 38.65 45.71 2.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 17.2 t-20 88.91 -42.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.511 ' HB1' ' CD1' ' A' ' 159' ' ' LEU . . . -56.28 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 6.2 m-20 -123.06 173.76 7.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 74.3 t -114.23 95.09 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.478 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -63.78 -53.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.516 ' SG ' ' CG2' ' A' ' 145' ' ' VAL . 41.2 t -154.22 104.12 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.581 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.76 162.17 12.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.79 69.43 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.516 ' CG2' ' SG ' ' A' ' 142' ' ' CYS . 5.3 t -88.53 53.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 0.9 OUTLIER -37.48 112.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 1.0 OUTLIER -78.06 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.8 -84.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -111.06 39.66 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.479 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -175.83 151.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.569 HG23 ' CE2' ' A' ' 153' ' ' TYR . 7.2 m -80.01 177.69 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.487 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.6 t -142.22 123.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.581 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.9 m-85 -134.47 84.69 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.562 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 12.7 mtm -61.46 137.74 58.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 139' ' ' ASP . 7.2 pt -125.53 179.31 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.481 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 5.5 p-10 -115.76 27.42 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -158.46 138.43 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.701 ' CG2' ' O ' ' A' ' 158' ' ' VAL . 1.1 m -74.04 61.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 158' ' ' VAL . 1.2 tp -20.3 133.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.644 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.3 mtt -124.92 148.79 60.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.45 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 138.91 23.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.0 67.37 5.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.22 32.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.11 -171.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -104.25 -5.66 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -114.91 149.93 18.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -159.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.99 -65.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.24 -37.09 4.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -38.76 40.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.82 -65.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -65.83 -49.76 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' ALA . 85.0 t80 -34.89 -60.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -36.63 -60.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . . . -39.77 -47.55 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.9 -52.33 51.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' ALA . 42.2 m-80 -121.14 79.01 34.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.97 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.2 p -119.6 -10.84 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.79 -178.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.15 3.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -66.89 -9.7 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -61.82 165.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CG1' HG11 ' A' ' 145' ' ' VAL . 27.0 m -58.56 -38.85 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' SER . 2.5 tp60 -88.23 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.57 -20.35 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.501 ' SD ' ' CG2' ' A' ' 147' ' ' THR . 18.5 ptp -102.21 -17.02 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' GLN . 74.0 m -62.96 -36.74 84.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.36 -10.73 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -104.8 145.97 31.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.644 ' O ' ' C ' ' A' ' 31' ' ' ALA . 2.3 p 27.86 -103.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.644 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -17.84 -78.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.62 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 71.0 t -34.52 -60.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -37.63 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 44' ' ' THR . . . -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -76.31 48.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 24.3 m-80 -170.15 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.51 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 15.9 m-80 -48.43 127.63 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 160.574 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 4.55 4.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.449 1.763 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' C ' HD21 ' A' ' 40' ' ' LEU . 2.2 mm-40 -119.92 -6.81 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 37' ' ' ASN . 7.5 mt -115.65 -32.51 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.1 p -34.24 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.4 m -69.06 -56.83 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.09 -51.81 68.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.609 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.1 p -47.56 -54.99 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' CA ' ' HB2' ' A' ' 50' ' ' GLN . . . -42.81 -38.62 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.77 -70.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -47.6 -61.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.516 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 88.5 p -42.24 -48.64 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 131.85 -22.15 4.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' HB2' ' CA ' ' A' ' 45' ' ' ALA . 5.5 mm-40 -38.36 -56.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -56.6 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -112.12 118.52 45.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 4.04 5.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.33 5.27 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 t -128.41 153.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -169.1 93.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.87 14.22 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 1.9 t -66.86 -33.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -81.63 -37.87 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 63' ' ' SER . 18.3 m -67.37 -62.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' THR . 6.8 mt -39.15 -48.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 29' ' ' PRO . 8.8 t-20 -81.74 51.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 60' ' ' THR . 14.4 t -108.79 -93.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.82 177.97 19.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -49.33 105.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.5 m-30 -112.7 -175.37 2.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.526 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 34.8 m -153.59 87.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.4 t -51.03 134.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE2' HG22 ' A' ' 103' ' ' VAL . 8.7 m-85 -125.83 65.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -96.91 129.53 32.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -137.548 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.692 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.05 117.24 4.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 39.9 p -60.76 170.05 1.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -61.38 -35.02 76.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.74 -28.53 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' CA ' ' A' ' 157' ' ' SER . . . -70.0 -46.38 65.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 28.5 m-85 -68.86 -42.59 76.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -49.18 -49.59 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.45 ' NZ ' ' HA ' ' A' ' 157' ' ' SER . 4.3 mtmp? -40.75 -65.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -42.71 146.96 0.67 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.99 -50.27 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 p -40.93 -51.3 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -49.7 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.53 -49.45 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.74 -21.5 41.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -48.96 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 87' ' ' LEU . 6.1 mt -56.12 -20.82 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -85.74 12.49 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.1 t -163.9 36.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 91' ' ' SER . 94.0 m-20 -114.71 -90.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 t 88.26 2.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 t -126.77 -46.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 tp -85.7 -25.25 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.69 -49.44 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -47.99 -42.77 28.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 14.1 m -60.06 -37.04 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.1 mt -66.88 -60.15 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -43.67 -62.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.546 ' OG1' ' CG ' ' A' ' 120' ' ' GLN . 79.1 p -48.18 -45.35 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CE2' ' O ' ' A' ' 160' ' ' MET . 47.4 t80 -69.09 -10.67 58.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.644 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 11.6 m-70 -100.4 17.54 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -156.1 117.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.524 HG22 ' CE2' ' A' ' 69' ' ' PHE . 71.5 t -94.18 148.94 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.56 101.61 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.38 -55.03 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.523 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 2.3 tt0 76.89 133.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 67.0 m -147.3 -91.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER 168.17 163.58 0.15 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.956 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.458 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -152.95 -44.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 20.7 m-20 -98.92 -37.38 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -41.15 -27.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 111' ' ' ASN . 10.0 p -59.69 138.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.67 170.38 20.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.59 103.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.489 ' CB ' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -104.7 -177.28 3.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.446 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 12.8 tt0 -126.33 128.8 47.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.167 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 120' ' ' GLN . 69.2 p -94.45 146.5 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -43.19 -28.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.546 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 1.5 tm0? -56.86 -55.7 31.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.19 -23.26 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.43 175.21 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.5 m -103.69 143.71 32.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.489 HG13 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -114.97 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 m -69.76 93.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.517 ' C ' ' CG2' ' A' ' 127' ' ' THR . 13.2 t -86.23 160.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.517 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.4 OUTLIER -155.87 165.6 35.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 137.6 162.96 9.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.31 -81.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.51 -59.63 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -146.24 79.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.07 52.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.435 ' HB3' ' HB ' ' A' ' 140' ' ' VAL . 7.0 mt -73.34 110.04 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 156.22 27.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 137' ' ' ASN . 2.3 t -139.92 118.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 55.76 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.3 t30 -143.1 21.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -119.35 -179.63 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -125.14 118.71 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -54.68 121.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.449 HG23 ' CA ' ' A' ' 155' ' ' ILE . 2.4 t -94.36 -40.91 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.514 ' SG ' ' CG2' ' A' ' 145' ' ' VAL . 9.7 t -159.27 101.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.32 155.57 16.23 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.51 22.1 32.59 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.536 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 6.0 t -95.58 57.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 21.0 m -45.01 126.26 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.501 ' CG2' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -91.16 -97.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . . . -107.77 -72.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -125.64 30.07 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.487 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -160.3 149.15 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.615 HG22 ' CE2' ' A' ' 153' ' ' TYR . 41.9 m -85.87 176.22 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.536 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -136.79 126.61 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.615 ' CE2' HG22 ' A' ' 151' ' ' THR . 83.6 m-85 -138.29 87.12 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.32 147.5 53.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -136.47 178.48 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -118.78 45.36 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -170.47 141.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' A' ' 159' ' ' LEU . 41.3 t -75.52 68.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -33.61 127.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.659 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 8.5 mtt -123.33 149.47 58.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.426 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.94 120.87 6.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.84 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.998 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -81.86 147.54 29.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER 46.24 -170.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.467 ' CG2' HD11 ' A' ' 133' ' ' LEU . 10.0 p -148.28 156.53 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.69 156.59 23.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -160.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.0 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -41.51 -47.91 4.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -40.45 -35.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 6' ' ' PRO . . . -69.43 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' TYR . 1.4 mm-40 -46.08 -55.07 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLY . 60.0 t80 -37.18 -64.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.34 -47.79 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.95 -37.97 54.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.19 -44.1 20.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -127.3 78.48 74.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.7 p -137.67 -155.18 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.15 -175.3 51.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.35 20.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -92.22 38.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.4 p -118.12 165.66 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.508 ' CG1' HG12 ' A' ' 145' ' ' VAL . 21.7 m -64.32 -32.9 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -47.03 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.09 -19.72 5.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.522 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 18.4 ptp -101.3 -14.63 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -67.22 -22.03 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -84.14 -1.7 55.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 78.2 m-20 -112.33 147.99 38.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.5 Cg_endo -74.98 99.49 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.705 ' O ' ' C ' ' A' ' 31' ' ' ALA . 12.9 p 29.09 -121.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.4 -72.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.4 t -32.28 -61.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.61 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -41.28 -29.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.562 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -77.71 48.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.402 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 46.8 m-80 -166.22 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.426 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 4.4 m-20 -51.99 132.43 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 168.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.07 6.39 3.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.0 OUTLIER -124.13 -0.93 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.8 mt -120.22 -34.17 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -38.54 -36.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.699 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.5 t -67.44 -50.54 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -59.43 -55.35 35.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.483 ' HA ' ' CG ' ' A' ' 47' ' ' LEU . 59.0 m -45.74 -62.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -36.41 -40.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.17 -68.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CG ' ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -53.91 -61.86 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.443 ' HA ' HG12 ' A' ' 58' ' ' VAL . 14.7 p -40.47 -67.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.31 -19.94 0.94 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.9 mt-30 -45.42 -24.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 0.768 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -98.54 -52.06 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -121.62 116.54 30.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 10.74 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.0 mt-30 -119.24 13.57 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 56' ' ' ASN . 2.6 t -141.76 137.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -157.68 83.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 60' ' ' THR . 4.0 mp -87.18 -32.68 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.527 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.0 p -29.6 -64.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.6 -53.95 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 23.9 m -61.31 -54.74 40.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.45 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.99 -24.01 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -94.38 50.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.87 108.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.15 133.01 7.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.4 mt-30 -54.23 105.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 12.1 m-30 -111.94 -173.28 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.465 ' CG2' ' HE1' ' A' ' 153' ' ' TYR . 22.5 m -149.38 85.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 66.2 t -51.64 132.21 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.8 m-85 -122.37 71.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 154' ' ' MET . . . -96.98 132.19 26.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -138.617 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.784 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.97 122.97 7.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 155' ' ' ILE . 17.2 p -69.79 170.12 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -13.23 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.78 -22.11 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . . . -77.02 -61.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.784 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 61.9 m-85 -54.97 -27.12 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 1.2 m -62.51 -52.93 61.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HE2' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmm -37.06 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -36.49 148.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.04 33.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.57 1.827 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.07 -41.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -57.02 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.57 -47.2 19.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.1 -46.34 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -20.52 40.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 89' ' ' THR . 14.2 tp10 -82.65 -51.72 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.475 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 6.4 mt -54.8 -19.11 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -84.44 7.32 20.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' GLU . 10.6 t -147.53 15.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 4.0 m-20 -118.48 162.72 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 p -154.71 22.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.77 -47.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -27.26 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.48 -43.91 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.0 m -51.09 -52.0 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -45.45 -45.2 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 98' ' ' LEU . 1.1 mt -60.38 -56.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -50.96 -60.25 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 95' ' ' THR . 0.9 OUTLIER -50.63 -44.75 57.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.701 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.0 t80 -66.77 -12.95 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.607 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 40.8 m-70 -95.39 23.7 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.482 HG13 ' CD2' ' A' ' 119' ' ' LEU . 1.1 p -163.72 116.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.61 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 74.3 t -94.86 146.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 104.67 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 127.44 110.98 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.9 tt0 -67.44 131.52 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.1 m -150.78 130.2 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 p -63.72 166.85 8.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.437 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 50.79 2.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.06 -45.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 23.2 m120 -96.63 -26.91 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.9 -24.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 114' ' ' GLY . 93.8 t -65.88 139.87 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 113' ' ' VAL . . . 115.88 -166.68 12.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.8 m -83.99 99.01 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.481 ' CB ' HG11 ' A' ' 124' ' ' VAL . 0.5 OUTLIER -94.01 177.6 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -133.4 115.61 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.601 HG21 ' CD1' ' A' ' 100' ' ' TYR . 49.3 p -75.44 163.78 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.482 ' CD2' HG13 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -65.18 -27.23 68.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 33.6 tp60 -59.38 -20.08 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 105.63 -12.57 46.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -85.32 176.93 8.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 p -109.64 138.62 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.481 HG11 ' CB ' ' A' ' 116' ' ' ARG . 2.6 p -112.66 108.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -75.59 98.37 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.451 HG13 ' CG2' ' A' ' 135' ' ' VAL . 3.6 t -94.37 150.13 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -146.63 169.52 18.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.92 -117.34 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 65.57 128.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.764 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 76.92 -53.98 3.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 132' ' ' SER . 7.3 m120 -161.48 134.7 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.6 t 83.18 150.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 4' ' ' VAL . 7.3 mt -149.95 113.57 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' CE ' ' O ' ' A' ' 138' ' ' ALA . 1.2 mtpt -119.09 159.12 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 69' ' ' PHE . 5.8 t -143.41 112.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.61 -80.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -150.03 21.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.526 ' CB ' ' HB ' ' A' ' 155' ' ' ILE . . . -118.21 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -113.4 118.21 33.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 84.1 t -59.93 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 154' ' ' MET . 2.4 t -69.14 -57.23 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 9.9 t -144.69 105.25 4.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.56 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.81 159.57 13.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.24 14.62 57.14 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.508 HG12 ' CG1' ' A' ' 22' ' ' VAL . 1.7 t -82.19 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.8 m -47.23 112.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.534 HG22 ' CB ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -81.48 -96.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -114.49 -85.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -109.81 37.94 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.473 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -174.85 150.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.584 HG21 ' CE1' ' A' ' 153' ' ' TYR . 18.5 m -88.05 179.87 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.4 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.4 t -145.91 125.97 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.584 ' CE1' HG21 ' A' ' 151' ' ' THR . 89.0 m-85 -133.78 90.61 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -60.43 133.68 56.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.614 ' CD1' ' O ' ' A' ' 157' ' ' SER . 1.0 OUTLIER -129.99 164.24 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' A' ' 157' ' ' SER . 20.5 p-10 -102.92 47.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.614 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 0.7 OUTLIER -172.9 146.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.609 ' O ' ' N ' ' A' ' 160' ' ' MET . 72.6 t -73.2 12.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 157' ' ' SER . 11.5 mt 50.45 -83.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.701 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.8 mtt 79.27 136.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.02 128.34 11.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.67 7.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' LEU . 1.1 m-20 -103.71 140.88 37.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER 47.16 -173.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.27 141.72 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.83 155.38 17.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 175.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -38.86 -34.65 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -41.55 -50.36 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -71.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.32 -52.18 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 12' ' ' ALA . 12.1 t80 -54.3 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -47.3 -47.32 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -26.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.72 -31.22 12.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 4.5 m-80 -134.69 71.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' GLY . 12.8 p -115.98 -13.99 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -49.88 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 15' ' ' ASN . . . -87.18 49.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.481 ' O ' ' CE ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -124.04 -176.96 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.484 ' CG2' HG12 ' A' ' 145' ' ' VAL . 7.7 t -64.86 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.71 -34.3 15.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.83 -8.65 42.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 21' ' ' SER . 21.4 ptp -112.07 -30.69 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.458 ' HA ' ' C ' ' A' ' 147' ' ' THR . 41.1 t -50.8 -48.21 59.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -52.7 -18.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.67 152.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.638 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.06 99.25 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.591 ' CG1' ' H ' ' A' ' 31' ' ' ALA . 2.3 p 25.09 -94.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.591 ' H ' ' CG1' ' A' ' 30' ' ' VAL . . . -24.34 -85.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.638 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 55.9 t -35.4 -49.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 30' ' ' VAL . . . -41.41 -50.7 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -65.99 -31.04 71.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.4 t -57.21 -14.41 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -88.9 -38.34 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.5 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -64.16 134.24 95.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -167.247 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 7.92 2.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.8 mm-40 -123.87 -8.94 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 9.4 mt -116.91 -11.21 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -37.84 -50.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.451 HG23 ' CG ' ' A' ' 76' ' ' PHE . 2.4 m -64.82 -42.83 94.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.19 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.2 m -45.04 -57.51 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -40.43 -41.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -70.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.597 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -48.48 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.549 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 8.6 t -43.67 -70.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 155.71 -21.95 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -42.74 -26.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -106.32 -47.28 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.498 ' HB2' ' CG1' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.73 90.43 18.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 15.09 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.9 mt-30 -119.52 10.67 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 5.8 p -158.69 153.87 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.494 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -154.44 112.36 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.629 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.34 -30.94 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 43.2 t -34.62 -63.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' VAL . 63.5 m-20 -37.08 -44.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.2 m -76.71 -56.34 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 60' ' ' THR . 3.9 mt -35.43 -38.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' THR . 44.9 t30 -91.87 52.83 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.4 m -112.66 -91.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -177.41 24.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 5.1 mt-30 -60.76 106.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.7 m-30 -111.22 -173.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.505 ' CG2' ' HB ' ' A' ' 151' ' ' THR . 30.8 m -151.81 89.89 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.482 ' CG2' HG23 ' A' ' 30' ' ' VAL . 6.2 t -53.23 135.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.64 ' CE2' HG23 ' A' ' 103' ' ' VAL . 10.2 m-85 -125.42 69.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . . . -99.73 130.54 26.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -137.319 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.779 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.04 125.75 9.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 155' ' ' ILE . 26.7 p -67.89 174.5 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -14.82 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.61 -21.95 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' HB3' ' CA ' ' A' ' 157' ' ' SER . . . -74.35 -42.13 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.779 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 35.7 m-85 -72.48 -39.19 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -56.25 -42.73 77.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -44.57 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mt -40.09 151.66 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.94 140.73 25.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.1 -44.4 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.5 p -45.08 -43.29 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.94 -51.52 54.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.6 mm -57.52 -55.9 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -24.65 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.53 -40.95 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 5.3 mt -65.6 -19.18 65.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -90.68 34.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' ASN . 9.8 t -173.72 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.448 ' ND2' HD21 ' A' ' 87' ' ' LEU . 92.1 m-20 -39.92 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER 82.02 -7.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 p -127.09 16.22 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.63 -43.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -59.7 -41.37 90.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.418 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.1 -37.33 21.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 1.5 m -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.444 HD11 ' CE ' ' A' ' 160' ' ' MET . 2.3 mt -69.95 -52.61 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 102' ' ' VAL . 1.5 mt -49.61 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 95' ' ' THR . 26.4 p -46.49 -48.34 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.754 ' CE2' ' O ' ' A' ' 160' ' ' MET . 27.1 t80 -60.7 -18.25 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 32.3 m-70 -92.71 20.97 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -159.03 127.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.64 HG23 ' CE2' ' A' ' 69' ' ' PHE . 34.8 t -106.33 158.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.95 95.51 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.07 96.56 0.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 123.42 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.427 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 10.8 m -135.24 145.8 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.596 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 51.5 p -80.42 160.37 67.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 45.88 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.32 18.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 113' ' ' VAL . 11.4 m120 -151.9 -51.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -31.31 -37.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 111' ' ' ASN . 52.1 t -49.01 124.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 129.83 177.83 15.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.2 m -68.35 81.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.348 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.468 ' CB ' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -83.23 -178.6 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.402 ' O ' HG12 ' A' ' 103' ' ' VAL . 13.9 tt0 -135.57 117.95 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 14.5 p -88.88 169.11 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 121' ' ' GLY . 14.0 mt -50.09 -54.46 20.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 104.5 -17.02 47.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.68 143.79 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 m -76.5 129.68 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 116' ' ' ARG . 2.6 p -103.93 100.35 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.2 m -69.26 92.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.472 ' C ' ' CG2' ' A' ' 127' ' ' THR . 18.4 t -87.15 153.83 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.472 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 1.2 p -151.85 177.67 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 137.66 -117.21 1.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 56.04 72.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.35 -82.97 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -166.19 51.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.94 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 7.5 mt -74.9 134.4 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.401 ' HB2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -129.95 155.43 46.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 137' ' ' ASN . 6.5 t -143.39 115.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.98 -81.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 135' ' ' VAL . 3.6 t30 -146.21 19.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -117.39 -179.41 3.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.92 117.47 24.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 43.9 t -55.61 119.06 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.405 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -87.89 -46.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.4 t -155.42 103.57 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.22 160.72 13.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.41 18.97 54.19 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 1.7 t -90.54 56.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 48.4 m -44.71 133.45 5.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 0.9 OUTLIER -99.15 -104.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -103.75 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -132.51 42.03 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.487 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -174.14 149.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.605 HG21 ' CE2' ' A' ' 153' ' ' TYR . 95.9 m -87.31 174.52 8.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.2 t -136.99 128.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.605 ' CE2' HG21 ' A' ' 151' ' ' THR . 79.8 m-85 -137.47 88.22 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.462 ' O ' ' HA ' ' A' ' 140' ' ' VAL . 3.9 mtm -60.5 150.11 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' A' ' 72' ' ' THR . 0.9 OUTLIER -142.46 178.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.43 35.12 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -160.79 147.15 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' ' N ' ' A' ' 160' ' ' MET . 85.7 t -75.47 16.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.608 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.3 OUTLIER 47.07 -81.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.754 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.7 mtp 77.07 139.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.03 5.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.67 144.85 29.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt 46.56 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 8.6 p -141.92 175.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.6 151.25 9.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.582 1.176 . . . . 0.0 111.036 169.308 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' TYR . . . -41.52 -46.24 4.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -39.88 -30.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -75.41 -73.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.31 -57.57 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 74.2 t80 -41.19 -63.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.59 -51.76 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.04 -46.77 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.6 -50.31 32.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -117.26 82.01 14.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.9 p -131.45 159.41 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.482 ' N ' ' HG ' ' A' ' 21' ' ' SER . . . 122.25 -178.1 16.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.96 21.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -84.45 -32.95 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.482 ' HG ' ' N ' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -48.48 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.49 ' HB ' ' CG1' ' A' ' 145' ' ' VAL . 8.4 m -90.44 36.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -150.7 -61.15 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.15 -31.63 11.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.577 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 14.7 ptp -66.25 -10.1 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 4.4 t -68.99 -38.67 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -69.64 -5.22 23.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 58.5 m-20 -103.89 146.77 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 96.87 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.695 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.3 p 30.55 -118.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -10.04 -71.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 63.5 t -30.69 -63.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -31.15 -64.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 40' ' ' LEU . . . -49.84 -49.44 49.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -51.44 -30.88 21.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.045 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 8.2 m-80 -82.49 -29.01 30.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.574 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.67 127.73 91.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 172.796 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.511 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 10.83 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.668 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.51 -18.99 7.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.89 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.27 -9.44 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.511 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 82.6 p -36.69 -40.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -69.4 -49.78 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -46.67 -64.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -47.94 -61.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.33 -42.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.02 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -60.5 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.569 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -35.0 -56.64 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.51 -20.4 3.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.39 -23.32 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -108.56 -49.59 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.513 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -113.79 91.28 21.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.03 15.37 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.7 mt-30 -117.98 4.92 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 52' ' ' ASN . 6.3 p -153.01 150.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.9 p30 -150.19 121.14 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -125.14 4.82 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 6.6 t -74.19 -32.81 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -87.12 -7.58 57.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 m -101.44 -40.59 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 57' ' ' LEU . 16.9 mt -69.23 -20.48 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 62' ' ' ASN . 31.3 p-10 -90.4 42.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -164.15 108.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.12 147.99 21.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -67.32 102.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.448 ' HB2' ' CB ' ' A' ' 150' ' ' ALA . 14.1 m-30 -113.25 -176.23 2.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.558 ' CG2' ' CE2' ' A' ' 153' ' ' TYR . 21.4 m -145.91 87.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.625 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 18.5 t -51.08 134.91 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 103' ' ' VAL . 10.6 m-85 -124.81 63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -95.99 129.46 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -138.504 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.722 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.0 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.556 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 77.1 p -55.47 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.96 -28.6 39.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.29 -10.03 59.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.48 -75.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 71.3 m-85 -47.08 -25.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.6 t -68.18 -49.33 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -46.38 -50.69 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' CG2' ' A' ' 158' ' ' VAL . 32.1 mt -59.67 150.02 68.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.76 39.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.6 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.8 p -47.72 -47.33 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -46.36 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.2 mm -63.61 -47.63 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -16.85 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.76 -46.34 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 87' ' ' LEU . 6.6 mt -61.72 -20.43 63.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -86.41 12.31 10.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 t -162.2 36.37 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 91' ' ' SER . 88.0 m-20 -114.13 -91.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.9 OUTLIER 82.35 -11.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -116.45 -12.46 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.94 -41.54 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -66.08 -40.5 90.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 96' ' ' SER . 12.1 t -45.15 -52.2 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -49.53 -44.09 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG23 ' CD2' ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.0 -64.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.496 ' CD2' HG23 ' A' ' 97' ' ' ILE . 1.5 mt -44.77 -61.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.583 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 21.8 p -51.57 -47.97 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.643 ' CE2' ' O ' ' A' ' 160' ' ' MET . 53.4 t80 -60.77 -17.6 50.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.71 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 15.7 m-70 -92.86 24.47 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.457 ' CG2' HD21 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -158.87 126.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 69' ' ' PHE . 3.7 t -102.71 164.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.519 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -123.67 109.71 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 157.65 -42.41 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.473 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 76.6 116.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.966 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 4.8 m -154.08 134.68 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.425 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.3 p -60.86 169.29 2.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.31 -10.31 28.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 4.0 m120 -124.99 -42.6 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.459 HG12 ' CG1' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -38.65 -31.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.7 t -47.96 137.34 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.22 -171.19 24.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 m -70.56 127.73 33.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.43 ' NH2' ' HB3' ' A' ' 117' ' ' GLN . 2.9 tpm_? -128.83 133.2 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.43 ' HB3' ' NH2' ' A' ' 116' ' ' ARG . 56.4 tt0 -75.4 118.45 18.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.533 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 22.8 p -77.95 161.71 27.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.6 ' CD2' ' C ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -65.1 -25.7 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.558 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 27.3 tp60 -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.92 5.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.51 -179.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 p -115.53 149.29 38.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.479 HG23 ' CD2' ' A' ' 159' ' ' LEU . 3.1 p -123.11 127.6 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.7 m -84.84 98.15 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.459 ' CG1' HG12 ' A' ' 112' ' ' VAL . 10.0 t -92.59 163.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.54 169.99 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -169.48 140.58 6.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -129.65 -46.16 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.49 128.2 0.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.6 m120 49.8 29.8 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 t 171.69 117.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.442 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 5.7 mp -115.22 168.93 9.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.7 157.06 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' ALA . 2.2 t -154.25 123.97 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 40.0 42.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.4 t-20 89.06 -40.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 135' ' ' VAL . . . -51.54 173.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -118.64 117.33 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.02 99.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.472 ' CG1' ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.77 -56.92 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.4 t -153.04 108.03 3.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.11 171.11 13.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.04 77.41 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 22' ' ' VAL . 2.0 t -88.34 58.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 35.0 m -41.72 111.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 0.6 OUTLIER -81.39 -98.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -110.04 -89.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -106.54 38.53 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.506 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -176.92 152.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.606 HG23 ' CE2' ' A' ' 153' ' ' TYR . 90.9 m -84.49 174.11 10.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.402 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 1.4 t -134.82 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.606 ' CE2' HG23 ' A' ' 151' ' ' THR . 74.1 m-85 -136.35 84.99 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.556 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 14.1 mtm -64.32 139.24 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 101' ' ' HIS . 6.1 pt -127.51 179.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.53 39.02 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.45 143.24 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' A' ' 159' ' ' LEU . 41.2 t -77.39 65.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -31.03 143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.643 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -134.27 147.86 65.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.23 13.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 59.24 5.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.974 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -141.01 78.87 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 3.0 mm? -101.72 -170.97 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' A' ' 109' ' ' PRO . 2.7 p -130.25 148.96 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.81 151.82 27.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -167.062 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.98 -66.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' HA3' ' CG1' ' A' ' 141' ' ' VAL . . . -36.47 -36.0 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -39.92 -30.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -90.31 -65.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.26 -45.86 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 37' ' ' ASN . 63.7 t80 -53.82 -64.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -42.1 -47.56 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.71 -29.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -96.73 -38.86 9.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' ALA . 12.8 m-80 -126.21 84.76 61.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -33.94 4.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 p -137.23 -165.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 -174.95 49.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -96.12 46.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.0 p -127.22 -171.65 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' CG1' HG13 ' A' ' 145' ' ' VAL . 24.7 t -79.16 -40.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -34.01 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.47 -48.32 85.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.535 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 13.2 ptp -62.03 -12.49 19.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -65.47 -50.16 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.23 -15.05 5.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' CG ' ' CG1' ' A' ' 32' ' ' VAL . 70.7 m-20 -94.99 142.58 24.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.95 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.705 ' O ' ' C ' ' A' ' 31' ' ' ALA . 9.0 p 31.8 -121.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.9 -70.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 35' ' ' SER . 76.5 t -30.65 -63.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.13 -57.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' CB ' ' CD2' ' A' ' 43' ' ' LEU . . . -59.97 -51.48 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.576 ' CB ' HG21 ' A' ' 44' ' ' THR . 43.0 t -41.15 -27.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.0 m-80 -138.79 35.28 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -85.83 134.73 38.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 128.82 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 6.95 3.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.684 ' C ' HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.19 -19.13 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.915 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -107.51 -11.39 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -40.0 -36.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.669 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 10.5 t -70.61 -46.99 62.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' CD1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -54.4 -56.99 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.576 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -48.75 -59.48 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -38.83 -39.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -65.42 -69.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -51.08 -62.66 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -39.49 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 151.16 -20.31 0.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.2 mt-30 -38.8 -48.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.67 52.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -132.76 121.85 17.35 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 28.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -129.42 3.92 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 11.4 t -125.17 146.56 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.5 p30 -164.05 102.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' THR . 12.8 mt -114.13 -34.22 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 p -33.59 -63.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' H ' ' CG1' ' A' ' 58' ' ' VAL . 7.3 m-20 -40.88 -51.44 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.3 m -63.15 -60.7 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' THR . 11.5 mt -33.4 -48.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.6 OUTLIER -81.13 52.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' THR . 37.3 m -118.67 -92.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.58 170.9 23.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.7 mt-30 -54.1 108.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' HB2' ' CB ' ' A' ' 150' ' ' ALA . 6.9 m-30 -113.62 -175.26 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.56 ' OG1' ' HA ' ' A' ' 106' ' ' GLN . 26.3 m -147.16 86.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.581 ' CG2' ' CG2' ' A' ' 30' ' ' VAL . 12.9 t -50.82 137.72 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 103' ' ' VAL . 7.9 m-85 -131.34 59.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . . . -94.08 134.03 26.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -137.639 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.74 ' HD3' ' ND1' ' A' ' 101' ' ' HIS . 18.2 Cg_endo -74.99 103.46 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.592 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 45.9 p -56.26 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 2.2 p30 -72.26 -50.22 28.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.57 41.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.56 -45.55 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.74 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 32.9 m-85 -82.63 -40.64 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -56.31 -31.0 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 25.8 mtpt -58.07 -48.5 79.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD12 ' CG2' ' A' ' 158' ' ' VAL . 58.2 mt -62.05 149.82 85.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.12 28.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.68 -44.43 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 p -46.1 -48.33 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.411 ' CG2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.89 -49.72 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.34 -37.55 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -21.24 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 90' ' ' ASN . 4.4 tp10 -82.16 -41.55 20.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -63.02 -13.28 33.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.425 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 17.3 mttt -93.69 11.19 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.9 t -145.02 15.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 9.3 m-20 -116.64 -155.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.464 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.3 t 168.56 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.8 -23.56 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -92.31 -48.26 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -63.68 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 91' ' ' SER . 2.3 m -54.03 -50.56 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.5 m -48.9 -40.46 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -62.35 -58.29 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.57 -56.32 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.525 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 1.5 p -48.87 -50.35 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.452 ' HD1' ' CG2' ' A' ' 118' ' ' THR . 1.2 t80 -60.67 -17.01 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.74 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.6 m-70 -91.92 25.81 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -162.6 132.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 69' ' ' PHE . 43.1 t -114.42 128.2 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.23 113.42 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 154.78 -44.2 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.56 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.4 OUTLIER 78.63 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.414 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 29.3 m -157.79 130.39 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 p -60.52 167.12 3.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' CG ' HG13 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.01 50.06 2.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.56 -46.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -97.35 -24.31 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.77 -21.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 114' ' ' GLY . 14.6 p -69.95 150.55 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.418 ' N ' HG21 ' A' ' 113' ' ' VAL . . . 106.43 -147.42 16.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.1 m -94.28 86.36 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.372 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.503 ' CB ' HG22 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -82.75 169.61 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 26.3 tt0 -129.6 126.65 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.504 HG21 ' CG2' ' A' ' 103' ' ' VAL . 58.0 p -93.39 166.22 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.48 ' CD1' HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -63.61 -27.66 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.7 tp60 -66.28 -26.56 67.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.62 -51.96 0.71 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.482 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -48.21 153.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.412 ' O ' ' OH ' ' A' ' 100' ' ' TYR . 3.1 m -90.12 148.46 22.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 118' ' ' THR . 0.1 OUTLIER -110.14 96.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 m -65.81 76.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.474 HG23 ' CG2' ' A' ' 135' ' ' VAL . 26.0 t -75.09 147.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.2 m -146.5 176.77 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 131.94 -108.94 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.6 tt0 87.08 -46.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -93.93 -136.78 8.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -87.71 57.88 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.1 157.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 140' ' ' VAL . 6.9 mt -149.76 139.96 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -130.42 165.94 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -163.84 115.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.36 40.47 30.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 86.68 -22.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.456 ' HA ' ' OG ' ' A' ' 157' ' ' SER . . . -72.14 169.89 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.439 ' N ' ' HD2' ' A' ' 139' ' ' ASP . 2.5 m-20 -118.51 121.29 39.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 133' ' ' LEU . 95.0 t -60.62 87.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.5 t -55.16 -56.62 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 145' ' ' VAL . 36.2 t -148.62 103.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 108.332 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.539 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.76 167.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.01 24.58 63.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.5 ' HB ' ' CG1' ' A' ' 152' ' ' VAL . 4.3 t -98.51 51.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.5 m -36.84 115.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.497 ' CG2' ' CG2' ' A' ' 152' ' ' VAL . 1.2 p -79.79 -100.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -103.27 -78.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -122.72 44.2 2.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 66' ' ' TYR . . . -177.14 135.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.577 HG21 ' CE2' ' A' ' 153' ' ' TYR . 6.8 m -63.16 175.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.5 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 2.1 t -139.85 124.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.577 ' CE2' HG21 ' A' ' 151' ' ' THR . 89.9 m-85 -137.13 88.32 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.592 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 16.2 mtm -70.61 114.47 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 1.2 pp -105.76 173.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' A' ' 157' ' ' SER . 34.6 p-10 -115.52 51.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 157' ' ' SER . . . . . 0.466 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.4 m -170.58 132.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 159' ' ' LEU . 72.3 t -74.02 70.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.521 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 34.2 mt -34.58 125.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 158' ' ' VAL . 2.9 mtp -122.05 140.52 32.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 161' ' ' PRO . . . . . 0.556 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.32 11.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 162' ' ' PRO . . . . . 0.482 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.03 150.21 37.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 3' ' ' LEU . 2.8 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.679 HG21 ' CB ' ' A' ' 109' ' ' PRO . 16.6 m -124.18 142.44 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.22 154.4 11.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.2 Cg_endo -75.03 -57.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.718 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -47.76 -46.64 24.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.39 -30.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -68.23 -73.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 2.3 mm-40 -54.14 -45.61 72.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 43.9 t80 -35.87 -65.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.92 -53.31 10.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.41 -39.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.09 -48.28 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -126.83 79.29 72.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.99 -31.86 5.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.422 ' C ' ' OG ' ' A' ' 21' ' ' SER . 71.9 p -137.02 176.3 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.17 -173.04 20.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HB2' ' CG ' ' A' ' 36' ' ' ASN . 18.4 Cg_endo -75.01 -18.64 18.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.858 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -90.05 23.34 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.488 ' O ' ' HE3' ' A' ' 25' ' ' MET . 0.7 OUTLIER -106.82 171.93 7.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HB ' HG13 ' A' ' 145' ' ' VAL . 2.8 m -68.65 -31.53 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -87.34 -39.48 15.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.9 73.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.488 ' HE3' ' O ' ' A' ' 21' ' ' SER . 22.5 ptp -66.52 -10.19 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.452 ' HA ' ' C ' ' A' ' 147' ' ' THR . 5.3 t -75.49 -53.53 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.64 -16.93 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -111.19 160.39 29.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.96 154.27 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 3.1 p -30.7 -44.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -55.98 -97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.9 t -38.78 -33.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.556 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -54.05 -50.73 66.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.33 -8.66 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.742 ' OG ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.7 26.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 31.3 m-80 -136.49 -39.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 1.054 ' O ' HG23 ' A' ' 41' ' ' THR . 0.2 OUTLIER -45.08 129.58 5.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 172.245 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.858 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 6.1 3.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -123.64 -2.18 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.705 HD22 ' HB1' ' A' ' 70' ' ' ALA . 22.8 mt -114.02 -33.23 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.054 HG23 ' O ' ' A' ' 37' ' ' ASN . 23.2 p -34.58 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.59 -55.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.907 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.18 -52.75 64.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.742 HG21 ' OG ' ' A' ' 35' ' ' SER . 60.3 m -47.7 -56.72 6.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.48 -38.36 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.09 -71.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.907 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.76 -61.95 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.841 ' HA ' HG23 ' A' ' 58' ' ' VAL . 11.4 p -43.41 -63.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 147.61 -24.36 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.95 -44.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -51.93 9.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.643 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -116.11 110.28 43.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 17.54 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.27 8.6 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 56' ' ' ASN . 2.2 t -132.2 160.17 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 4.7 p30 -169.73 110.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.09 8.48 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.841 HG23 ' HA ' ' A' ' 48' ' ' SER . 3.5 t -66.84 -39.63 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.91 -45.53 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . 20.3 m -64.31 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD22 HG11 ' A' ' 102' ' ' VAL . 5.0 mt -38.99 -43.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -85.46 52.52 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 t -163.16 110.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 82.01 140.07 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.7 mt-30 -50.46 109.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 0.725 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 5.8 m-30 -112.97 -175.53 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 151' ' ' THR . 86.8 m -152.16 87.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.788 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.4 t -51.79 140.07 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.574 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.7 m-85 -131.25 67.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.788 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.7 130.1 29.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -138.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.877 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 108.68 2.77 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 155' ' ' ILE . 54.9 p -53.5 175.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -69.0 -11.95 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.69 -19.1 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.717 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 55.8 m-85 -63.17 -47.74 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -44.42 -54.57 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.951 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 4.6 mtmp? -40.37 -46.39 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 158' ' ' VAL . 12.0 mt -61.5 149.21 84.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.415 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.97 155.64 43.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.64 -53.3 56.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 p -39.68 -44.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.77 -51.37 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 110.417 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.14 -51.08 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -21.04 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.847 ' HG3' HD22 ' A' ' 90' ' ' ASN . 8.0 tp10 -81.74 -44.49 16.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 87' ' ' LEU . 5.9 mt -66.19 -8.71 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -90.57 25.06 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.5 t -160.87 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.847 HD22 ' HG3' ' A' ' 86' ' ' GLU . 2.8 m120 -55.79 168.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 p -159.48 26.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.86 -44.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -80.95 -26.96 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.938 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.74 -46.59 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.44 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.6 t -55.13 -45.68 75.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.44 ' C ' ' HG3' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -50.35 -39.72 47.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.935 HG22 HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.14 -57.41 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.938 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.93 -61.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.896 HG22 HD11 ' A' ' 119' ' ' LEU . 2.6 p -46.22 -48.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.1 t80 -61.43 -21.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.692 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.4 m-70 -89.42 24.39 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.94 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.3 t -153.32 149.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.999 HG13 ' O ' ' A' ' 117' ' ' GLN . 92.6 t -134.17 131.16 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.08 109.71 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 161.8 -49.2 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.572 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.5 OUTLIER 77.58 120.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.0 m -157.26 128.4 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -52.88 165.77 0.54 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.679 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.1 Cg_endo -75.05 52.42 3.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 -45.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 113' ' ' VAL . 5.4 m-20 -98.67 -29.97 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -40.8 -29.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.1 p -60.37 143.83 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.95 178.5 23.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.4 m -71.48 101.79 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -99.8 -170.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.999 ' O ' HG13 ' A' ' 103' ' ' VAL . 15.5 tt0 -129.85 131.4 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.473 ' HA ' HG22 ' A' ' 103' ' ' VAL . 71.7 p -97.21 145.34 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.94 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -39.69 -30.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.445 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -55.51 -59.6 4.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.3 -24.62 1.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.16 174.36 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.3 m -100.4 142.64 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.5 p -112.88 104.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -68.59 96.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.74 HG13 ' CG2' ' A' ' 135' ' ' VAL . 17.5 t -91.54 153.39 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.701 ' HA ' HG23 ' A' ' 113' ' ' VAL . 20.9 m -146.58 175.79 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 127' ' ' THR . 6.1 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 135' ' ' VAL . 6.8 mtpt -123.31 164.4 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.867 HG12 HD11 ' A' ' 159' ' ' LEU . 2.2 t -156.28 121.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 50.16 38.84 33.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.3 t-20 84.25 -14.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.682 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -74.87 -178.79 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 6.5 m-20 -124.87 109.38 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 154' ' ' MET . 46.6 t -55.5 98.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.718 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.9 t -63.06 -60.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.69 106.19 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.0 161.97 12.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.04 24.46 44.59 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.613 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.4 t -96.21 65.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 13.1 m -53.7 127.65 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.556 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 7.2 p -87.63 -105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -109.2 -44.24 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.456 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -150.98 38.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.544 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -172.13 141.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.951 ' HB ' HG23 ' A' ' 67' ' ' THR . 26.2 m -83.07 170.91 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -136.03 131.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.6 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 88.6 m-85 -140.51 87.42 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -64.22 146.88 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -135.78 -179.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -121.33 36.97 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.411 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -159.48 134.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 158' ' ' VAL . 70.7 t -75.17 72.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.867 HD11 HG12 ' A' ' 135' ' ' VAL . 22.9 mt -33.24 148.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.724 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.9 mtp -139.61 144.37 39.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.44 ' HG3' ' C ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.37 141.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.21 160.3 11.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.534 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -49.31 -30.72 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.5 -28.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.73 -70.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 9.6 mm-40 -43.78 -47.85 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' ALA . 71.5 t80 -43.44 -63.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.06 -52.62 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -44.67 -35.31 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.95 -42.63 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -130.72 78.25 74.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -30.68 6.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.7 p -129.5 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.21 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.37 20.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.905 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.53 14.71 14.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.496 ' O ' ' HE3' ' A' ' 25' ' ' MET . 61.2 p -93.06 165.47 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.594 HG12 HG13 ' A' ' 145' ' ' VAL . 18.9 m -62.83 -31.04 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -98.26 -48.59 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -52.06 -21.81 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.682 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.2 ptp -91.68 -17.09 26.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -61.66 -36.56 81.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.84 -12.35 61.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 m-20 -97.85 144.13 27.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.754 HG13 ' H ' ' A' ' 31' ' ' ALA . 3.3 p 28.65 -109.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.754 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -11.45 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 78.9 t -40.81 -66.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.89 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -64.91 -58.39 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.911 ' O ' HG22 ' A' ' 41' ' ' THR . 7.5 t -44.65 -26.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' ALA . 16.6 m120 -80.11 -49.34 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 1.029 ' O ' HG23 ' A' ' 41' ' ' THR . 5.0 t-20 -52.72 130.38 46.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.905 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 3.48 5.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.658 ' HA ' HD22 ' A' ' 73' ' ' ASN . 2.5 mm-40 -121.39 -3.84 9.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.589 HD22 ' HB1' ' A' ' 70' ' ' ALA . 17.1 mt -116.64 -32.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.029 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.2 p -32.64 -39.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.7 m -63.37 -58.41 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.941 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.12 -43.2 87.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.777 HG21 ' CB ' ' A' ' 35' ' ' SER . 90.4 m -48.45 -58.7 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -40.16 -35.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.29 -71.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.9 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.32 -62.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.256 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.992 ' HA ' HG23 ' A' ' 58' ' ' VAL . 23.6 p -43.56 -53.11 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.591 ' HA2' HG23 ' A' ' 55' ' ' VAL . . . 132.91 -21.18 4.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLY . 21.7 mt-30 -37.79 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -82.32 -53.06 6.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.654 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.4 t30 -119.1 129.42 25.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.79 -5.34 10.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.796 HG11 HD21 ' A' ' 94' ' ' LEU . 5.5 m -111.66 137.6 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 48' ' ' SER . 8.1 p30 -159.61 119.23 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 17.5 mt -128.17 14.08 6.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.992 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.5 t -67.74 -59.14 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 -39.2 89.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 m -64.12 -69.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.701 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.6 mt -37.98 -38.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -85.89 51.04 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.519 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -166.26 109.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 152.9 26.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -69.64 108.59 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.2 m-30 -113.8 -173.25 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 1.016 HG23 ' HB ' ' A' ' 151' ' ' THR . 35.9 m -151.54 87.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 70' ' ' ALA . 58.9 t -51.53 134.7 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.586 ' O ' HD11 ' A' ' 155' ' ' ILE . 10.0 m-85 -125.43 67.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.766 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.1 127.24 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -139.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.941 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.5 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 155' ' ' ILE . 35.9 p -62.57 -179.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.658 HD22 ' HA ' ' A' ' 39' ' ' GLU . 1.4 m120 -66.77 -38.14 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.45 -9.47 58.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -80.17 -47.98 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 53.5 m-85 -77.97 -45.94 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -48.43 -23.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 5.5 mtmt -63.37 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 158' ' ' VAL . 22.6 mt -79.68 147.95 68.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -75.03 140.0 24.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.45 -30.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' PRO . 48.0 p -56.76 -55.29 36.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.48 -45.77 84.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 86' ' ' GLU . 29.2 mm -62.19 -56.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.57 -26.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 89' ' ' THR . 5.1 tp10 -78.7 -50.31 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.7 mt -54.96 -19.31 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -86.46 7.03 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.8 t -141.66 10.17 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.602 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -118.82 153.73 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -144.91 23.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.35 -45.62 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -79.6 -30.38 41.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.104 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.36 -43.04 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 99' ' ' THR . 0.6 OUTLIER -54.14 -43.82 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.582 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.3 m -53.57 -39.59 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 98' ' ' LEU . 2.4 mt -65.42 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.104 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -44.67 -62.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.6 p -43.59 -51.54 6.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CD1' HG21 ' A' ' 118' ' ' THR . 1.2 t80 -56.99 -22.47 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.747 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 47.8 m-70 -90.62 24.32 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -162.58 111.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 117' ' ' GLN . 54.3 t -94.7 149.6 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.722 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -91.41 96.92 10.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.44 106.16 0.71 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 132.25 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.409 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 17.5 m -150.88 133.9 15.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.21 165.4 28.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.92 50.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.83 -46.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.7 m-20 -96.27 -28.5 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.778 HG13 HG11 ' A' ' 126' ' ' VAL . 0.5 OUTLIER -46.3 -25.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 127' ' ' THR . 85.7 t -62.2 133.31 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.21 -174.91 15.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 123' ' ' SER . 95.2 m -73.6 104.3 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.5 tpm_? -105.52 147.07 28.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.864 ' O ' HG13 ' A' ' 103' ' ' VAL . 10.2 tt0 -94.25 127.28 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.805 ' CG2' HG22 ' A' ' 124' ' ' VAL . 9.4 p -101.27 165.99 11.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 104' ' ' ALA . 21.0 mt -48.89 -54.04 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.575 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 16.0 tp60 -49.26 -31.93 9.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.29 -41.12 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.527 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -50.52 150.72 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.559 ' HB2' HG23 ' A' ' 115' ' ' THR . 17.6 p -86.93 158.92 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.805 HG22 ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -124.37 102.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.4 m -69.8 73.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.778 HG11 HG13 ' A' ' 112' ' ' VAL . 3.2 t -72.32 145.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.58 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -156.47 -174.96 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.714 ' HA3' HD22 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.714 HD22 ' HA3' ' A' ' 128' ' ' GLY . 4.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.6 mttt -134.88 154.38 51.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.723 HG22 HG22 ' A' ' 126' ' ' VAL . 1.8 t -149.11 122.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 42.87 45.64 5.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.7 t-20 88.05 -39.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.829 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -51.97 171.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.4 m-20 -120.7 116.95 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 133' ' ' LEU . 77.4 t -58.26 113.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 72' ' ' THR . 2.3 t -85.99 -47.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 27.4 t -160.48 106.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.43 176.14 18.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.57 20.19 79.41 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.594 HG13 HG12 ' A' ' 22' ' ' VAL . 1.5 t -87.93 52.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.4 m -43.33 128.67 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.57 HG21 ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -96.98 -99.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -104.94 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 4.5 p30 -127.86 37.87 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -168.5 138.89 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' THR . . . . . 1.016 ' HB ' HG23 ' A' ' 67' ' ' THR . 30.7 m -78.11 174.23 11.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.554 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -138.99 129.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.9 m-85 -137.69 89.59 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.563 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.44 142.06 57.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.829 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.4 OUTLIER -134.56 -178.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.47 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 1.7 p-10 -118.38 39.21 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -171.38 136.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 158' ' ' VAL . 1.5 m -78.59 71.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.687 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -22.52 135.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.36 140.67 38.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.582 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.05 121.56 6.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.527 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.616 HG11 ' CB ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -117.94 172.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.452 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 72.05 155.29 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -163.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -63.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.487 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.26 -36.87 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.7 -40.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.91 -73.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 30.6 mt-10 -40.75 -43.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CE1' ' ND2' ' A' ' 15' ' ' ASN . 45.0 t80 -49.08 -64.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.62 -49.88 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.27 -46.9 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -77.43 -53.53 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 11' ' ' TYR . 2.3 m-80 -118.12 81.76 16.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.06 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -111.78 -153.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.7 43.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 18.2 Cg_endo -75.04 -8.0 19.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.852 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -82.54 -22.32 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 p -59.07 168.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.978 HG13 HG13 ' A' ' 145' ' ' VAL . 42.6 t -67.18 -29.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.1 -46.33 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 19' ' ' PRO . . . -47.93 -46.3 25.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.606 ' SD ' HG12 ' A' ' 145' ' ' VAL . 10.4 ptp -70.56 -11.62 61.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 147' ' ' THR . 7.0 m -76.68 -26.52 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.22 -16.1 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.66 165.96 12.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 150.92 38.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.8 p -30.51 -48.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.708 ' HB1' HG13 ' A' ' 58' ' ' VAL . . . -50.29 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' SER . 21.9 t -35.81 -44.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.32 -54.35 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -70.45 -22.88 62.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.77 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.77 20.72 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -126.05 -41.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.822 ' O ' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -55.41 130.77 70.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 174.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 3.47 5.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.773 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.55 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -117.44 -9.82 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.722 HD21 ' HG3' ' A' ' 154' ' ' MET . 63.4 mt -105.7 -29.05 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.47 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -69.14 -55.03 11.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.852 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.68 -52.52 60.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.77 HG21 ' CB ' ' A' ' 35' ' ' SER . 85.5 m -46.44 -57.01 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.96 -39.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.84 -69.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.812 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.98 -63.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.666 ' HA ' HG23 ' A' ' 58' ' ' VAL . 96.5 p -42.39 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.51 -20.79 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 6.5 mt-30 -43.59 -25.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -109.08 -44.09 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.874 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.36 92.48 23.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 26.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -130.66 4.61 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.874 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.6 p -150.98 153.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 7.8 p30 -152.92 108.09 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 12.91 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.708 HG13 ' HB1' ' A' ' 31' ' ' ALA . 4.7 t -78.7 -27.64 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -83.44 -19.56 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.2 m -94.94 -62.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 102' ' ' VAL . 3.1 mt -37.64 -43.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -80.41 53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.08 110.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 86.8 138.02 5.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -50.77 105.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.589 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.3 m-30 -112.71 -174.63 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.973 HG23 ' HB ' ' A' ' 151' ' ' THR . 80.8 m -153.14 89.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.839 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.6 t -53.03 142.86 5.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.1 m-85 -133.61 73.68 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.839 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -108.27 125.43 31.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -136.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.861 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 125.7 9.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 37.9 p -67.03 -173.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.55 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 8.7 m-20 -77.33 -2.18 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -106.46 -20.9 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -72.58 -37.01 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.861 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 39.2 m-85 -82.93 -24.68 32.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -24.08 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.1 mtmp? -70.69 -10.2 58.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.013 HD12 HD11 ' A' ' 84' ' ' ILE . 11.4 mt -75.31 163.35 68.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 80' ' ' PRO . . . 72.27 -59.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.13 -47.5 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.445 ' CG2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -51.52 -41.78 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.013 HD11 HD12 ' A' ' 79' ' ' LEU . 18.6 mm -63.18 -47.09 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.41 -16.47 9.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -90.47 -44.34 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 7.2 mt -55.75 -19.02 9.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 89' ' ' THR . 6.1 mtmt -84.2 7.81 17.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 88' ' ' LYS . 3.2 p -159.92 44.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.425 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.9 m-20 -122.63 -79.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 73.95 9.27 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -135.92 -44.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -89.46 -20.89 23.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.019 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -88.67 -44.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 t -47.17 -41.01 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.48 -42.61 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.659 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -64.41 -54.75 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.019 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.86 -59.77 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.671 HG22 HD11 ' A' ' 119' ' ' LEU . 12.8 p -50.6 -51.3 49.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.698 ' CE2' ' O ' ' A' ' 160' ' ' MET . 17.0 t80 -59.03 -18.01 30.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.672 ' NE2' ' O ' ' A' ' 158' ' ' VAL . 41.5 m-70 -90.27 24.0 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.977 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.7 t -153.25 145.81 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 117' ' ' GLN . 96.1 t -129.34 143.45 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.09 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.73 95.73 1.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.3 tt0 -53.4 127.25 24.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.452 ' HB ' HG13 ' A' ' 112' ' ' VAL . 23.5 m -139.59 138.36 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.0 p -74.04 163.99 64.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.98 45.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.59 19.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.525 ' O ' ' C ' ' A' ' 112' ' ' VAL . 34.0 m-20 -152.51 -51.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.35 -43.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.881 HG23 ' HA ' ' A' ' 127' ' ' THR . 2.4 p -40.91 127.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.19 170.7 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.9 m -65.94 81.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.536 ' HB2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -79.65 -175.6 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.647 ' O ' HG13 ' A' ' 103' ' ' VAL . 9.3 tt0 -137.02 118.68 14.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 102' ' ' VAL . 47.2 p -81.93 158.64 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.977 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -55.25 -25.31 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 120' ' ' GLN . 3.4 tp-100 -61.34 -38.67 87.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.64 -32.51 3.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.47 158.41 36.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.5 p -111.5 99.7 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.0 m -67.47 100.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.694 HG22 HG22 ' A' ' 135' ' ' VAL . 41.5 t -94.45 150.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.881 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -156.5 -175.95 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.429 ' CA ' ' HA ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.794 ' N ' HD23 ' A' ' 133' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 135' ' ' VAL . 4.7 mttt -134.41 155.48 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.092 HG12 HD21 ' A' ' 159' ' ' LEU . 1.9 t -152.98 128.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 39.27 42.15 1.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.587 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 8.4 t30 89.1 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.815 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -51.45 175.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.441 ' C ' HG22 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -124.19 120.26 31.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.733 HG21 ' HB2' ' A' ' 133' ' ' LEU . 73.8 t -55.98 137.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 154' ' ' MET . 3.4 t -115.99 -56.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.6 96.33 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.29 166.79 12.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.04 72.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.978 HG13 HG13 ' A' ' 22' ' ' VAL . 1.3 t -83.18 58.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 73.7 m -53.14 124.77 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 14.3 p -87.04 -108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.34 -47.31 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.8 p30 -152.4 40.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.61 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -171.31 133.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.973 ' HB ' HG23 ' A' ' 67' ' ' THR . 32.3 m -76.59 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.639 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -142.98 129.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -133.21 93.17 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.722 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -68.71 114.35 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 1.0 HD13 ' O ' ' A' ' 157' ' ' SER . 1.2 pp -109.06 166.94 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 15.4 p-10 -98.87 44.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' SER . . . . . 1.0 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.3 m -172.17 141.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.672 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -73.72 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.092 HD21 HG12 ' A' ' 135' ' ' VAL . 61.0 mt 47.97 -88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.698 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER 87.53 137.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 123.24 7.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.589 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.657 HG11 ' CG ' ' A' ' 109' ' ' PRO . 7.8 p -119.5 158.56 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 157.3 33.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.449 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -48.26 -42.3 24.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -32.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.26 -75.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -49.43 -51.76 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' O ' ' A' ' 20' ' ' ALA . 75.8 t80 -37.24 -65.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.75 -44.96 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -52.21 -43.39 64.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.65 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.89 79.28 32.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -62.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.7 p -121.09 110.09 15.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.71 -169.29 39.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -20.98 16.26 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.777 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -98.21 28.68 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 25' ' ' MET . 88.3 p -100.91 166.55 10.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.686 HG12 HG13 ' A' ' 145' ' ' VAL . 6.4 m -66.89 -12.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' SER . 37.2 tp60 -107.72 -58.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.94 -42.14 7.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.721 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.9 ptp -70.18 -25.31 63.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' GLN . 3.1 t -54.96 -55.57 29.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -51.97 -18.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.669 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -93.17 144.09 27.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 100.53 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.782 HG11 ' O ' ' A' ' 61' ' ' LEU . 4.3 p 27.58 -111.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.772 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -16.46 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.669 HG12 ' HB3' ' A' ' 28' ' ' ASP . 45.5 t -33.44 -51.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -47.21 -55.15 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -63.4 -12.35 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.711 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -84.26 16.32 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.426 ' OD1' ' OD2' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -134.42 -39.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.87 ' O ' HG23 ' A' ' 41' ' ' THR . 20.2 m-80 -49.42 129.97 18.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 171.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.777 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.0 4.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.616 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.51 -5.15 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.699 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 11.0 mt -117.09 -33.83 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.1 p -36.15 -36.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -67.37 -54.68 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.884 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -57.73 -47.73 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.711 HG21 ' CB ' ' A' ' 35' ' ' SER . 17.7 m -49.33 -61.14 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.14 -38.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.92 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.776 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.78 -60.53 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 p -40.68 -67.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.31 -22.41 0.57 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.555 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 1.3 mm-40 -40.52 -57.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 tp -62.72 -49.99 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -128.91 113.98 18.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 11.61 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.506 1.792 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.8 mt-30 -116.2 7.97 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.827 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.4 t -128.92 153.64 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 2.6 p30 -165.68 113.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 60' ' ' THR . 10.1 mt -121.67 -38.01 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.1 p -32.73 -65.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.727 ' H ' HG13 ' A' ' 58' ' ' VAL . 6.0 t0 -39.3 -46.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.0 m -70.28 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.782 ' O ' HG11 ' A' ' 30' ' ' VAL . 4.6 mt -39.05 -30.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' THR . 26.7 t30 -90.76 53.65 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -175.78 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 99.42 131.62 7.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.8 mt-30 -50.76 106.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.553 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 9.7 m-30 -113.94 -172.72 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.988 HG23 ' HB ' ' A' ' 151' ' ' THR . 46.7 m -153.42 86.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.796 HG12 ' HB2' ' A' ' 70' ' ' ALA . 58.9 t -51.52 135.56 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -125.1 67.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.796 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.29 129.94 33.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -139.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.884 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.5 Cg_endo -74.94 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 155' ' ' ILE . 67.1 p -56.15 169.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -62.17 -32.41 73.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.98 -19.65 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -75.08 -47.41 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.716 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 37.5 m-85 -67.81 -50.58 56.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -41.61 -53.76 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.0 mtmp? -37.94 -51.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' HB ' ' A' ' 158' ' ' VAL . 6.7 mt -58.26 146.66 70.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.417 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.99 138.69 23.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.22 -44.85 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -43.38 -47.27 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.81 -58.8 6.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 mm -48.82 -61.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.508 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -46.7 -39.83 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' A' ' 89' ' ' THR . 0.8 OUTLIER -62.32 -45.11 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.627 HD23 ' ND2' ' A' ' 90' ' ' ASN . 8.7 mt -53.45 -49.41 67.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CD ' ' HA ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -57.94 -9.87 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 86' ' ' GLU . 11.3 t -138.56 38.21 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.627 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.9 m-20 -119.59 -68.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER 69.95 -59.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 m -90.17 42.35 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -164.1 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.827 ' CD2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.86 -40.63 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.7 t -49.85 -44.46 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -52.82 -39.01 62.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.521 HG22 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -68.1 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -43.88 -62.5 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.524 HG23 HD11 ' A' ' 57' ' ' LEU . 12.6 p -48.33 -46.11 36.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.668 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.8 t80 -65.93 -12.3 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 14.1 m-70 -96.97 21.54 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.615 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -155.2 132.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 118' ' ' THR . 24.6 t -109.78 158.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -104.61 98.8 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.95 97.25 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.2 OUTLIER -57.6 125.83 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.424 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 21.7 m -146.5 128.49 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -59.43 165.67 3.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.657 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 50.93 2.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.88 -45.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.9 m120 -99.37 -27.96 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -21.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 127' ' ' THR . 95.3 t -74.22 137.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 -105.25 1.08 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.3 m -135.55 138.87 43.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -136.89 171.52 14.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -124.05 103.45 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.54 ' HA ' HG22 ' A' ' 103' ' ' VAL . 68.6 p -62.11 140.71 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.615 HD23 HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.73 -31.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.451 ' OE1' ' O ' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -54.47 -57.9 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.29 -24.11 1.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -80.21 158.85 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.2 m -93.14 138.1 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 116' ' ' ARG . 3.1 p -108.89 115.31 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -79.41 106.72 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 135' ' ' VAL . 28.1 t -97.85 160.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.618 ' HA ' HG13 ' A' ' 113' ' ' VAL . 13.7 m -154.98 174.89 14.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.508 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.625 ' HB2' HG21 ' A' ' 140' ' ' VAL . 4.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 5.0 mtpt -133.2 151.26 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 126' ' ' VAL . 2.1 t -151.11 120.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.36 44.82 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.581 1.176 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t-20 87.43 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.738 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -54.2 173.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.35 113.76 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' A' ' 133' ' ' LEU . 75.6 t -55.46 126.71 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.62 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -99.88 -50.39 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 10.1 t -153.42 104.14 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.51 168.86 12.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.2 70.87 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.686 HG13 HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -88.33 58.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.7 m -50.06 118.88 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.721 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.3 p -86.13 -100.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -98.91 -76.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.7 p30 -127.42 35.0 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.569 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -163.56 136.53 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.988 ' HB ' HG23 ' A' ' 67' ' ' THR . 21.3 m -74.12 175.84 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.547 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -142.71 127.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.499 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -135.29 93.75 3.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.477 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.45 142.26 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 72' ' ' THR . 0.6 OUTLIER -135.0 166.83 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 8.5 p-10 -109.61 47.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.8 OUTLIER -170.87 140.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 158' ' ' VAL . 42.3 t -79.03 71.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.631 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -34.02 135.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.668 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.9 mtt -132.02 150.04 74.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.44 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.92 138.84 23.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.579 HD11 HG11 ' A' ' 22' ' ' VAL . 2.5 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 133' ' ' LEU . 7.3 p -141.42 163.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 90.64 152.02 27.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' C ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.98 -66.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.52 -26.69 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -39.74 -58.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -58.04 -71.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.1 mp0 -36.59 -50.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 89.4 t80 -64.72 -53.73 42.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.54 -29.9 7.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -81.12 -41.6 22.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.89 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 38.3 m-80 -122.11 76.25 41.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLY . 14.7 p -114.03 -19.85 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.62 172.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.63 20.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.89 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -95.22 -7.74 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.591 ' O ' ' HE3' ' A' ' 25' ' ' MET . 15.7 m -59.36 -165.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG22 HG13 ' A' ' 145' ' ' VAL . 16.2 t -83.23 -40.83 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.59 -36.15 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -46.38 92.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.79 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.3 ptp -63.16 -13.6 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 28' ' ' ASP . 7.4 t -63.61 -56.79 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -46.86 -22.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.649 ' CG ' HG12 ' A' ' 32' ' ' VAL . 73.6 m-20 -92.37 141.4 24.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 99.59 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.735 HG11 ' O ' ' A' ' 61' ' ' LEU . 9.6 p 31.45 -121.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.725 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.88 -70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.649 HG12 ' CG ' ' A' ' 28' ' ' ASP . 69.3 t -31.45 -62.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.79 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.05 -73.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.686 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -47.42 -42.03 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 1.059 ' N ' HG21 ' A' ' 44' ' ' THR . 1.8 t -56.75 -15.22 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.2 m-80 -111.14 -27.01 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.69 ' O ' HG23 ' A' ' 41' ' ' THR . 2.7 m120 -51.24 121.81 17.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 163.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 10.1 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.698 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.8 mt-10 -120.81 -19.22 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.07 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -105.37 -14.79 15.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -37.94 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.8 m -73.83 -54.4 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.945 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -52.92 -56.08 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 1.059 HG21 ' N ' ' A' ' 35' ' ' SER . 73.3 p -50.36 -55.05 17.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.43 -36.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.682 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -68.71 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.879 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -47.82 -60.08 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.623 ' HA ' HG12 ' A' ' 58' ' ' VAL . 1.4 t -42.16 -66.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.91 -22.78 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.659 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 28.2 mt-30 -37.92 -59.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -56.37 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -133.9 126.04 18.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 6.92 3.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.93 3.78 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 13.8 t -123.11 147.55 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.6 p30 -164.72 109.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -124.36 -43.96 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.763 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -16.79 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.763 ' N ' HG22 ' A' ' 58' ' ' VAL . 5.6 m-20 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.671 ' N ' ' O ' ' A' ' 57' ' ' LEU . 87.2 m -55.5 -44.32 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.735 ' O ' HG11 ' A' ' 30' ' ' VAL . 3.6 mt -54.22 -31.53 53.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -86.43 6.9 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 60' ' ' THR . 29.1 t -56.46 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.73 -178.16 20.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -50.86 107.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.3 m-30 -112.96 -170.17 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.99 HG23 ' HB ' ' A' ' 151' ' ' THR . 32.7 m -152.88 87.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 70' ' ' ALA . 39.6 t -51.44 139.66 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.697 ' CD2' HG23 ' A' ' 103' ' ' VAL . 11.6 m-85 -133.69 66.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.75 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.85 129.07 28.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -138.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.945 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.609 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 38.2 p -61.08 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.644 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 82.8 m-20 -72.1 -47.26 52.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.67 -11.11 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -82.7 -52.32 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -79.48 -32.69 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -63.39 -24.48 67.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -65.65 -45.76 81.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 83' ' ' THR . 57.9 mt -68.71 149.0 98.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.05 158.95 41.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.38 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -50.76 -41.74 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.661 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -64.73 -47.68 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.17 -49.37 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.52 -19.68 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 2.2 tp10 -82.75 -46.9 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.535 ' O ' HD22 ' A' ' 94' ' ' LEU . 7.2 mt -59.54 -18.38 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.757 ' O ' HG23 ' A' ' 89' ' ' THR . 4.5 mtmp? -89.51 16.98 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.45 30.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 86' ' ' GLU . 92.4 m-20 -116.63 -73.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.419 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.2 t 67.37 8.97 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -134.66 -45.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -88.06 -22.96 23.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.088 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.83 -44.67 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 50.6 m -52.55 -46.1 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.6 -39.92 62.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.584 HG22 HD23 ' A' ' 98' ' ' LEU . 1.6 mt -64.59 -57.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.088 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -46.88 -61.08 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 1.2 p -47.97 -44.26 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.3 t80 -68.49 -10.99 59.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.689 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.2 m-70 -98.55 16.42 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.8 129.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.985 HG13 ' O ' ' A' ' 117' ' ' GLN . 45.4 t -108.81 146.72 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.92 106.07 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.1 97.53 0.92 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -48.92 145.52 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 m -160.31 151.34 19.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 2.8 p -86.04 165.88 31.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 3.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.95 -8.57 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' VAL . 12.2 m120 -123.15 -41.53 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.692 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -40.66 -33.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.829 HG23 ' HA ' ' A' ' 127' ' ' THR . 3.0 p -53.75 124.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.15 172.1 13.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 m -66.47 106.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.577 ' HD2' HG11 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -103.54 -175.39 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.985 ' O ' HG13 ' A' ' 103' ' ' VAL . 26.0 tt0 -136.2 115.88 12.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 103' ' ' VAL . 74.2 p -75.4 147.7 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -44.87 -28.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.459 ' OE1' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -56.78 -55.22 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.18 -26.18 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.542 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.63 173.15 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -105.2 135.02 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.541 HG13 ' HB2' ' A' ' 116' ' ' ARG . 3.5 p -107.02 97.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 m -65.45 100.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.761 HG13 HG22 ' A' ' 135' ' ' VAL . 2.5 t -93.29 152.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.829 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -160.61 168.38 25.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.787 ' N ' HD23 ' A' ' 133' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.512 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.4 mtpt -135.24 156.16 49.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.761 HG22 HG13 ' A' ' 126' ' ' VAL . 2.1 t -148.74 107.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.58 -48.1 0.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.512 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.8 OUTLIER -176.86 -33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -63.37 168.08 4.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.44 118.14 35.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.552 ' CB ' ' HB2' ' A' ' 133' ' ' LEU . 74.4 t -55.04 105.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.638 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.3 t -70.91 -50.14 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 39.0 t -160.8 109.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 108.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.44 174.98 16.6 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.96 78.63 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.75 HG13 HG22 ' A' ' 22' ' ' VAL . 1.7 t -92.92 50.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 54.9 m -39.03 123.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.665 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.2 p -89.61 -104.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -100.22 -71.2 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.7 p30 -130.51 45.04 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -176.72 135.36 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.99 ' HB ' HG23 ' A' ' 67' ' ' THR . 53.8 m -68.74 171.79 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.7 t -135.74 127.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.699 ' CE2' HG21 ' A' ' 151' ' ' THR . 75.1 m-85 -137.03 85.77 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.609 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.7 mtm -65.43 141.88 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.56 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -129.76 -178.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.92 38.84 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -163.63 141.48 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.611 ' HB ' HD11 ' A' ' 79' ' ' LEU . 53.2 t -80.68 74.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.604 HD11 HG12 ' A' ' 135' ' ' VAL . 67.0 mt -33.48 151.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.3 mtp -141.11 144.87 36.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.47 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 134.08 17.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.542 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 109' ' ' PRO . 4.2 p -142.78 151.95 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.76 147.72 22.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.993 -160.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.571 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -39.95 1.04 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.98 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -55.65 -64.98 3.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.07 -52.19 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -39.94 -52.26 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 mt-10 -80.65 -41.59 23.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 52.8 t80 -35.0 -66.51 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.91 -53.79 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.26 -42.26 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.77 -51.97 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -118.28 81.83 17.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.76 5.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.0 p -127.6 -165.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.43 174.43 48.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -10.32 21.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.729 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -80.0 -34.72 38.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -56.16 170.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 145' ' ' VAL . 26.6 t -61.12 -69.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -55.48 -21.72 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.62 -63.69 3.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.65 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.4 ptp -58.93 -13.53 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 15.0 m -69.97 -28.33 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.89 8.27 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.83 164.06 42.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.58 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.98 144.29 30.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.793 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.721 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 10.0 p -24.9 -50.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 30' ' ' VAL . . . -49.41 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 32' ' ' VAL . 11.8 t -40.11 -39.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -47.78 -55.86 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.522 ' C ' HG21 ' A' ' 44' ' ' THR . . . -75.21 -16.08 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.735 ' N ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.68 33.68 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -143.74 -41.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -47.16 131.07 9.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 170.027 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.729 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.2 mm-40 -122.73 -2.25 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 14.3 mt -113.47 -35.52 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -32.77 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.3 m -65.69 -55.48 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.72 -49.51 74.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.756 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -48.47 -54.58 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -43.63 -38.31 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.29 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.855 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.15 -62.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.714 ' HA ' HG23 ' A' ' 58' ' ' VAL . 9.1 t -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.41 -21.53 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.504 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 7.7 mt-30 -43.25 -25.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -108.63 -45.68 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.799 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -108.9 99.47 35.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.0 12.71 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.2 mt-30 -126.63 5.47 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -126.06 179.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 56' ' ' ASN . 5.3 p-10 173.57 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.0 mm? -91.82 -22.97 19.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.714 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.5 t -34.1 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.61 ' N ' HG12 ' A' ' 58' ' ' VAL . 10.1 t0 -48.1 -50.58 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.614 ' O ' ' CE2' ' A' ' 66' ' ' TYR . 53.3 m -60.68 -11.47 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.1 mt -101.51 -38.7 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.571 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 20.7 p-10 -83.49 46.69 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -169.6 109.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 93.55 127.68 4.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -47.51 111.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE2' ' O ' ' A' ' 60' ' ' THR . 4.1 m-30 -115.11 -174.17 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 1.034 HG23 ' HB ' ' A' ' 151' ' ' THR . 51.0 m -152.0 85.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.873 HG12 ' HB2' ' A' ' 70' ' ' ALA . 94.7 t -50.92 135.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CD2' HG23 ' A' ' 103' ' ' VAL . 6.8 m-85 -125.99 70.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.873 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.29 127.78 32.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -136.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 155' ' ' ILE . 33.5 p -56.5 165.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.79 -27.87 69.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.5 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -76.13 -44.52 38.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 30.8 m-85 -66.11 -28.7 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -70.3 -47.43 61.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' SER . 25.5 mtpt -39.75 -36.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.994 HD12 HG21 ' A' ' 83' ' ' THR . 0.3 OUTLIER -50.78 163.34 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.584 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 8.27 2.49 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.784 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 80' ' ' PRO . . . 76.37 -54.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.2 p -49.71 -44.41 48.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.994 HG21 HD12 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -53.36 -50.79 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 87' ' ' LEU . 32.9 mm -52.04 -65.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 6.3 m-20 -41.28 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.471 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 0.9 OUTLIER -75.9 -44.29 41.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.801 HD23 ' ND2' ' A' ' 90' ' ' ASN . 20.9 mt -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.76 -7.86 4.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 87' ' ' LEU . 10.2 t -144.14 42.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.801 ' ND2' HD23 ' A' ' 87' ' ' LEU . 95.9 m-20 -122.79 -50.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 40.1 31.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -151.12 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.42 -13.19 50.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -95.81 -52.8 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 99' ' ' THR . 0.8 OUTLIER -42.29 -40.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.486 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.6 OUTLIER -63.46 -38.07 89.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' LEU . 5.0 mt -68.17 -56.26 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -50.5 -52.3 39.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 95' ' ' THR . 26.2 p -59.41 -44.59 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.652 ' CE2' ' O ' ' A' ' 160' ' ' MET . 50.7 t80 -66.38 -14.68 62.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.641 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.2 m-70 -91.61 20.36 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.679 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.82 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 117' ' ' GLN . 97.7 t -105.86 141.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.9 103.69 15.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.27 101.13 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 134.38 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.426 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 15.5 m -153.32 134.54 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p -66.15 164.64 27.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.464 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.99 50.87 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 -45.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -98.77 -29.85 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 126' ' ' VAL . 1.4 p -48.75 -29.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.82 HG13 ' HA ' ' A' ' 127' ' ' THR . 51.1 t -64.77 128.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.46 -179.78 16.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.0 m -63.73 99.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.699 ' NH2' HG21 ' A' ' 67' ' ' THR . 0.0 OUTLIER -98.02 -177.0 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.877 ' O ' HG13 ' A' ' 103' ' ' VAL . 6.7 tt0 -135.43 116.65 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.512 ' HA ' HG22 ' A' ' 103' ' ' VAL . 69.2 p -78.58 168.22 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.679 HD23 HG13 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -65.76 -25.46 67.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 28.9 tp60 -73.84 -1.08 17.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 95.32 -52.03 1.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.886 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -45.07 163.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 p -101.79 151.64 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 116' ' ' ARG . 3.7 p -125.58 96.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 136' ' ' GLY . 32.4 m -67.05 92.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.716 HG13 HG22 ' A' ' 135' ' ' VAL . 16.5 t -80.12 164.23 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.82 ' HA ' HG13 ' A' ' 113' ' ' VAL . 20.7 m -156.1 173.12 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.69 154.94 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.716 HG22 HG13 ' A' ' 126' ' ' VAL . 2.5 t -140.16 103.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 125' ' ' THR . . . 63.71 -68.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.9 m120 -141.92 -41.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.734 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -60.3 177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -124.13 121.76 36.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.33 127.12 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.98 HG12 ' HA3' ' A' ' 7' ' ' GLY . 1.8 t -106.4 -34.86 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.778 ' SG ' HG21 ' A' ' 145' ' ' VAL . 14.9 t -161.63 98.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.96 156.75 15.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.8 18.68 53.99 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 22' ' ' VAL . 5.4 t -91.59 64.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 4.5 m -55.0 129.33 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 25' ' ' MET . 16.7 p -87.47 -107.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.19 -37.44 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -157.54 35.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.721 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -167.93 136.24 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' THR . . . . . 1.034 ' HB ' HG23 ' A' ' 67' ' ' THR . 52.3 m -79.06 171.49 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.496 ' N ' HG22 ' A' ' 151' ' ' THR . 1.3 t -138.92 129.06 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.0 m-85 -135.78 86.32 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.473 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -57.46 146.38 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.752 ' O ' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -138.04 169.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 6.0 p-10 -110.61 47.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.604 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 4.4 m -175.82 149.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' A' ' 159' ' ' LEU . 71.6 t -81.56 68.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 135' ' ' VAL . 1.6 tp -29.68 139.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.652 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.7 mtp -132.15 147.41 65.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 129.87 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.886 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -114.31 127.41 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.43 156.07 8.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.625 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -56.31 -44.16 89.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.85 -31.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -65.98 -69.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -58.16 -50.16 74.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 52.9 t80 -38.72 -64.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.84 -43.09 6.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -74.31 -47.67 33.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -124.71 80.64 61.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.02 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -132.84 106.12 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . -175.01 -164.34 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.45 10.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 34.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.455 ' O ' ' CE ' ' A' ' 25' ' ' MET . 97.1 p -106.25 175.78 5.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.003 HG12 HG13 ' A' ' 145' ' ' VAL . 27.1 m -76.02 -15.16 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 26' ' ' SER . 48.5 tt0 -107.04 -52.48 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -48.88 -21.91 2.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.81 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.5 ptp -93.82 -19.23 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' GLN . 0.4 OUTLIER -58.88 -43.96 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.59 -18.54 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.595 ' CG ' HG12 ' A' ' 32' ' ' VAL . 89.2 m-20 -95.44 143.96 27.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.527 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.04 97.41 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.722 HG13 ' H ' ' A' ' 31' ' ' ALA . 7.6 p 32.29 -120.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.722 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -9.06 -71.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 35' ' ' SER . 73.7 t -33.64 -60.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.81 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -36.94 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -41.93 -31.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.741 ' CB ' HG21 ' A' ' 44' ' ' THR . 3.3 t -77.28 48.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -166.0 -39.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.852 ' O ' HG23 ' A' ' 41' ' ' THR . 1.8 m-20 -54.75 130.9 65.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 170.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.78 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.63 4.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -119.51 -8.05 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 34' ' ' ALA . 41.5 mt -109.82 -31.79 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.852 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.7 p -34.43 -37.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.58 -56.35 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.962 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -61.3 -47.98 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.741 HG21 ' CB ' ' A' ' 35' ' ' SER . 6.8 m -46.23 -57.38 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.96 -42.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -61.99 -70.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.752 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.89 -63.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.458 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -38.11 -52.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.57 -25.38 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -41.03 -49.29 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -77.68 -48.18 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.847 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -115.05 90.45 23.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 8.84 2.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -111.28 4.63 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.847 HG12 ' HB2' ' A' ' 52' ' ' ASN . 6.4 p -154.3 158.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.9 p30 -150.97 129.99 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' ' C ' ' A' ' 58' ' ' VAL . 1.5 mm? -109.29 -48.51 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.771 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -21.68 -79.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.771 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.61 -55.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -57.71 -51.66 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -54.36 -33.37 58.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.91 52.26 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -115.72 -93.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.71 179.94 22.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mt-30 -58.33 106.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 12.4 m-30 -111.81 -170.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.914 HG23 ' HB ' ' A' ' 151' ' ' THR . 26.0 m -152.04 86.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.819 HG12 ' HB2' ' A' ' 70' ' ' ALA . 46.3 t -52.12 137.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.0 m-85 -125.29 65.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.819 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.7 125.77 50.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -139.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.962 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.469 HG21 HG21 ' A' ' 141' ' ' VAL . 20.2 p -52.92 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -84.08 0.51 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.46 -12.83 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 157' ' ' SER . . . -79.19 -42.46 26.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.812 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.4 m-85 -77.06 -44.82 29.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -49.6 -23.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.48 -29.37 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.492 HD11 HG21 ' A' ' 158' ' ' VAL . 31.5 mt -82.57 154.72 68.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.18 26.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.78 -48.41 4.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -42.91 -58.37 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.86 -47.15 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.84 -47.37 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -19.12 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.791 ' HG3' HD22 ' A' ' 90' ' ' ASN . 6.5 tp10 -84.84 -52.48 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 87' ' ' LEU . 5.9 mt -54.66 -19.14 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.9 mttt -81.07 4.43 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.7 p -145.93 14.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.791 HD22 ' HG3' ' A' ' 86' ' ' GLU . 1.2 m120 -117.77 156.0 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 91' ' ' SER . 2.8 t -149.37 18.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.02 -43.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.79 -36.12 23.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.823 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -74.22 -49.29 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.8 t -47.71 -43.13 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.518 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -51.81 -45.88 64.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.704 HG22 HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -62.57 -54.64 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.823 HD21 HD12 ' A' ' 94' ' ' LEU . 2.3 mt -45.33 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.493 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 68.6 p -43.16 -49.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.7 t80 -58.77 -16.09 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.741 ' NE2' ' N ' ' A' ' 159' ' ' LEU . 18.7 m-70 -99.43 20.66 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.33 117.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.822 HG22 ' HA ' ' A' ' 118' ' ' THR . 2.9 t -95.92 159.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -104.59 97.41 7.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.87 87.97 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.44 128.89 8.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.443 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 30.9 m -147.27 126.61 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.6 p -61.65 168.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.06 49.52 2.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -134.13 -45.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 113' ' ' VAL . 32.2 m-20 -98.23 -34.98 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.57 -29.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.73 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.6 p -63.09 139.9 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.12 171.03 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 115' ' ' THR . 2.4 t -62.35 99.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -98.83 179.74 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 103' ' ' VAL . 42.3 tt0 -118.35 119.72 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.822 ' HA ' HG22 ' A' ' 103' ' ' VAL . 31.1 p -92.49 166.42 12.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.737 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 16.2 mt -51.75 -58.65 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.493 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -38.51 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 107.62 -17.34 36.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.16 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 17.3 m -81.42 139.93 34.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.7 p -115.83 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.3 m -65.33 85.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 124' ' ' VAL . 60.2 t -76.45 155.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.73 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -152.5 169.29 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.513 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.513 HD23 ' HA3' ' A' ' 128' ' ' GLY . 4.9 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.15 155.15 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.541 ' CG1' HD21 ' A' ' 159' ' ' LEU . 1.6 t -150.25 123.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.87 47.02 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.5 t-20 87.74 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.768 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -50.07 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -121.74 114.15 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 42.2 t -56.44 102.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.625 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.3 t -70.31 -49.04 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 11.0 t -155.13 105.54 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.43 167.17 12.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.64 17.69 67.68 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.003 HG13 HG12 ' A' ' 22' ' ' VAL . 1.6 t -85.42 51.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.3 m -43.67 128.98 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.651 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.9 OUTLIER -98.04 -103.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.61 -75.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -125.41 46.33 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.531 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -178.36 143.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.914 ' HB ' HG23 ' A' ' 67' ' ' THR . 19.5 m -81.59 176.09 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.55 ' H ' HG22 ' A' ' 151' ' ' THR . 1.8 t -142.96 125.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.548 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 91.2 m-85 -133.47 91.72 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 2.2 mtm -61.79 140.69 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.768 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -140.66 172.39 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.5 p-10 -114.43 49.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.646 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.8 OUTLIER -173.44 121.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 158' ' ' VAL . 0.9 OUTLIER -69.91 70.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.741 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 1.8 mp -25.48 143.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.725 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.63 144.58 53.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.518 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.95 113.16 3.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.582 HG21 ' CB ' ' A' ' 109' ' ' PRO . 33.4 m -117.34 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.16 151.71 8.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.637 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -52.13 -47.45 55.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -41.68 -51.84 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.37 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -53.31 -54.45 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.432 ' O ' ' N ' ' A' ' 14' ' ' ALA . 72.1 t80 -37.36 -66.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.82 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.05 -42.83 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.73 -50.21 26.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -120.63 90.05 45.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.53 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.1 p -146.76 -176.73 5.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.3 -154.45 16.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -32.93 4.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -76.77 -117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.444 ' O ' ' HE3' ' A' ' 25' ' ' MET . 11.0 m 42.05 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG12 HG13 ' A' ' 145' ' ' VAL . 32.6 m -92.78 -29.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -90.52 -28.3 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -61.49 -15.43 46.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.634 ' CG ' HG22 ' A' ' 147' ' ' THR . 15.5 ptp -110.18 -17.67 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 147' ' ' THR . 58.6 m -73.97 -15.42 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -92.82 7.92 41.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.623 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -140.91 170.09 10.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.98 143.43 29.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.696 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 14.2 p -28.12 -41.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -55.11 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' SER . 40.8 t -42.34 -37.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -45.26 -30.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.05 -29.67 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.7 ' CB ' HG21 ' A' ' 44' ' ' THR . 17.5 t -67.54 -8.39 33.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -90.26 -55.4 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.908 ' O ' HG23 ' A' ' 41' ' ' THR . 1.5 t30 -53.72 139.88 49.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -167.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.578 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.9 mm-40 -124.89 1.74 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.535 HD22 ' HB1' ' A' ' 70' ' ' ALA . 29.7 mt -117.53 -33.4 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.908 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.4 p -34.84 -43.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.45 -54.06 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.943 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.88 -40.41 84.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.7 HG21 ' CB ' ' A' ' 35' ' ' SER . 18.5 m -51.12 -56.23 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.35 -33.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -70.51 -73.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.904 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.657 ' HA ' HG23 ' A' ' 58' ' ' VAL . 54.0 p -47.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.16 -21.94 0.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.601 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 5.5 mt-30 -38.39 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.49 -55.06 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.77 ' HB3' HG13 ' A' ' 55' ' ' VAL . 1.7 t30 -125.95 129.03 24.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.95 0.71 10.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.929 HG11 HD21 ' A' ' 94' ' ' LEU . 3.6 m -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.4 p30 -138.17 98.21 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.7 mm? -87.96 -31.57 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' A' ' 48' ' ' SER . 41.6 t -36.25 -65.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -39.91 -40.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 7.8 m -78.2 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.81 HD21 HG21 ' A' ' 102' ' ' VAL . 46.8 mt -32.96 -46.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -81.94 50.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.9 t -114.37 -91.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -118.36 -175.51 16.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -52.18 106.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 5.0 m-30 -113.63 -175.08 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.967 HG23 ' HB ' ' A' ' 151' ' ' THR . 37.2 m -152.21 88.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.821 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.8 t -52.51 141.6 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 10.2 m-85 -130.36 66.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -98.91 130.32 27.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -137.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.943 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 127.64 10.86 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 155' ' ' ILE . 37.1 p -74.98 173.6 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.578 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 18.6 m-20 -61.82 -29.95 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.61 -0.99 52.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -95.86 -44.57 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.78 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.6 m-85 -71.07 -30.96 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -60.37 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HB3' HG21 ' A' ' 83' ' ' THR . 29.9 mt -56.15 149.7 34.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.46 35.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.28 -51.59 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -41.41 -50.82 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.13 -48.25 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.37 -59.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.56 -24.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -78.97 -48.52 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.69 ' O ' HD22 ' A' ' 94' ' ' LEU . 4.6 mt -50.82 -22.63 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -91.85 27.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 6.5 t -174.83 35.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -119.0 -73.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.413 ' H ' HD23 ' A' ' 94' ' ' LEU . 7.0 t 69.77 12.3 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 m -136.84 -44.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -93.98 -20.12 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.929 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -86.15 -45.63 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -52.61 -45.29 66.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.559 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.45 -39.15 60.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.609 HG22 HD23 ' A' ' 98' ' ' LEU . 2.0 mt -65.16 -60.08 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.837 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -47.88 -58.27 4.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 1.036 HG22 HD11 ' A' ' 119' ' ' LEU . 2.1 p -48.89 -49.45 39.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.755 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.1 t80 -59.91 -24.7 64.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.66 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 64.5 m-70 -82.75 21.29 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.908 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.0 t -153.36 141.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 117' ' ' GLN . 31.2 t -129.15 128.78 67.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.58 98.0 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' NH2' ' A' ' 116' ' ' ARG . . . 139.62 107.87 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 131.68 44.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.8 m -154.35 127.97 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.4 p -59.07 168.63 1.45 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.582 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 50.12 2.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.18 -45.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 9.6 m120 -99.71 -27.79 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -53.59 -19.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 127' ' ' THR . 57.6 t -60.77 148.04 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.78 -177.68 46.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.44 ' H ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -56.32 127.69 32.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -128.45 136.18 50.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.734 ' O ' HG13 ' A' ' 103' ' ' VAL . 20.9 tt0 -81.6 127.22 32.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.759 ' CG2' HG22 ' A' ' 124' ' ' VAL . 9.6 p -102.13 163.19 12.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.036 HD11 HG22 ' A' ' 99' ' ' THR . 0.8 OUTLIER -59.64 -21.15 60.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.537 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 29.9 tp60 -69.8 -36.69 75.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -27.39 5.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.764 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -75.98 172.22 13.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 p -109.2 150.36 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.759 HG22 ' CG2' ' A' ' 118' ' ' THR . 0.1 OUTLIER -112.8 110.75 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.6 m -69.13 73.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 135' ' ' VAL . 16.5 t -67.72 159.75 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.58 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -160.53 171.02 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.455 ' HA2' HD22 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.641 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 135' ' ' VAL . 20.7 mttt -134.26 159.61 40.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.966 HG12 HD21 ' A' ' 159' ' ' LEU . 2.1 t -156.96 133.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.72 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . 35.78 43.37 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.5 t-20 87.72 -47.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -46.45 172.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 17.8 m-20 -117.28 122.59 44.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.641 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 63.8 t -59.99 123.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.637 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.7 t -94.67 -53.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.2 t -149.91 103.02 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 108.337 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.559 ' O ' HG22 ' A' ' 4' ' ' VAL . . . -113.23 160.61 13.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.19 23.97 38.85 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.597 HG13 HG12 ' A' ' 22' ' ' VAL . 2.6 t -95.16 66.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.0 m -52.74 128.14 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.669 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 4.8 p -88.12 -108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.15 -41.15 4.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -151.95 41.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.696 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -177.5 151.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.967 ' HB ' HG23 ' A' ' 67' ' ' THR . 32.9 m -89.21 173.96 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.512 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -140.18 128.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.513 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -135.69 89.46 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 6.5 mtm -62.62 143.89 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.614 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -133.68 173.63 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 1.3 p-10 -110.16 38.5 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.61 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -168.83 152.72 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 158' ' ' VAL . 89.0 t -73.26 13.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.966 HD21 HG12 ' A' ' 135' ' ' VAL . 8.6 mt 51.08 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.755 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 33.4 mtp 82.06 140.89 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.559 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.93 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.764 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.519 HG11 ' CB ' ' A' ' 109' ' ' PRO . 11.0 p -136.02 165.03 30.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 82.67 154.55 15.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.54 1.15 . . . . 0.0 111.06 -170.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.457 1.767 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -46.72 -38.96 10.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.01 -50.11 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.21 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -40.91 -54.1 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.6 t80 -40.3 -55.3 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.03 -47.52 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -58.54 -41.87 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.38 -45.91 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.677 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 60.1 m-80 -124.31 73.69 59.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.0 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' GLY . 13.6 p -115.8 -16.8 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.86 174.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -95.37 -1.75 50.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.2 p -68.43 166.35 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.792 HG13 ' CG1' ' A' ' 145' ' ' VAL . 17.5 t -58.36 -27.85 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' SER . 55.2 tt0 -92.06 -47.45 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.77 -22.9 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.669 ' SD ' HG22 ' A' ' 147' ' ' THR . 13.7 ptp -99.86 -24.09 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' GLN . 22.8 t -61.77 -15.97 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.19 25.84 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 24.6 m-20 -148.36 153.03 40.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.622 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.805 HG13 ' H ' ' A' ' 31' ' ' ALA . 3.1 p 27.5 -106.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . . . -18.08 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.622 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 54.3 t -30.52 -55.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -42.9 -62.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -46.22 -24.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.902 ' OG ' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -79.61 46.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -154.11 -46.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 1.001 ' O ' HG23 ' A' ' 41' ' ' THR . 29.1 t-20 -48.39 131.78 13.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.699 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 8.08 2.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.1 mm-40 -128.0 3.67 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.608 HD22 ' HB1' ' A' ' 70' ' ' ALA . 34.9 mt -118.87 -29.55 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.001 HG23 ' O ' ' A' ' 37' ' ' ASN . 53.6 p -36.23 -40.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -63.17 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.836 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.55 -48.21 82.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.902 HG21 ' OG ' ' A' ' 35' ' ' SER . 1.2 m -49.35 -58.07 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB3' HD13 ' A' ' 51' ' ' LEU . . . -41.28 -37.09 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.7 -73.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -43.57 -59.55 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 1.1 p -43.96 -66.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.497 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 148.79 -21.1 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.09 -24.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD13 ' HB3' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -100.52 -44.7 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.89 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -123.01 106.08 34.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -115.9 -2.45 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.89 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -126.76 149.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.955 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.8 p30 -159.66 101.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.955 HD23 ' C ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -109.63 -27.07 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.511 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.8 p -33.54 -56.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' H ' HG13 ' A' ' 58' ' ' VAL . 7.7 m-20 -61.17 -39.15 89.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' LEU . 64.1 m -62.97 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.82 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 2.2 mm? -30.79 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' THR . 55.6 t30 -82.2 50.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -91.85 -84.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -156.62 118.85 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.54 ' O ' ' O ' ' A' ' 64' ' ' GLY . 14.2 mt-30 37.81 99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.712 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 2.6 m-85 -122.84 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.943 HG23 ' HB ' ' A' ' 151' ' ' THR . 23.8 m -152.49 85.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.84 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.6 t -52.64 133.5 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 7.2 m-85 -120.9 65.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.84 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -93.9 128.07 42.87 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -138.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.836 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.04 119.97 5.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 155' ' ' ILE . 66.3 p -67.62 177.73 1.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 37.5 m-20 -61.03 -55.98 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.51 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -74.99 -51.8 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.689 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 24.4 m-85 -68.38 -37.54 80.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -42.48 76.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.7 mtmt -40.67 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' LYS . 9.6 mt -39.69 150.13 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.86 59.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.84 -46.51 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -53.03 60.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.548 HG22 ' HE3' ' A' ' 88' ' ' LYS . 44.8 mm -56.23 -41.63 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.18 -16.89 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.677 ' O ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -88.33 -39.33 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.589 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.7 mt -60.45 -35.45 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HE3' HG22 ' A' ' 84' ' ' ILE . 14.0 mtmt -76.26 34.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.4 t -171.1 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.572 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.2 m-20 -43.59 -71.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 17.3 t 65.42 21.15 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.39 -45.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.5 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -89.48 -25.46 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -83.65 -50.8 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 99' ' ' THR . 7.3 m -47.67 -45.09 27.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 2.0 m -56.88 -37.86 71.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.473 HG23 ' HD2' ' A' ' 101' ' ' HIS . 6.7 mt -65.04 -61.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -38.95 -63.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.747 HG22 HD22 ' A' ' 119' ' ' LEU . 63.0 p -47.09 -48.56 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.672 ' CE2' ' O ' ' A' ' 160' ' ' MET . 25.2 t80 -63.62 -12.97 37.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.856 ' CE1' HD11 ' A' ' 155' ' ' ILE . 11.7 m-70 -97.4 21.48 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -155.36 135.71 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.795 HG22 ' HA ' ' A' ' 118' ' ' THR . 19.4 t -117.63 134.68 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.42 95.96 9.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.19 86.39 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.53 138.9 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.562 ' HB ' HG13 ' A' ' 112' ' ' VAL . 33.3 m -152.58 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.588 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 52.3 p -73.05 159.85 84.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 49.53 2.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.85 19.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.4 m120 -156.74 -52.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.7 -40.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 111' ' ' ASN . 13.8 p -38.8 149.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.01 -172.41 41.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 123' ' ' SER . 1.2 m -62.45 127.67 32.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.71 ' O ' HG12 ' A' ' 124' ' ' VAL . 3.4 tpm_? -140.4 126.68 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 103' ' ' VAL . 47.9 tt0 -69.09 125.27 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.795 ' HA ' HG22 ' A' ' 103' ' ' VAL . 18.0 p -99.5 177.78 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.448 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.747 HD22 HG22 ' A' ' 99' ' ' THR . 0.9 OUTLIER -54.95 -61.24 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -38.13 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.32 -21.77 21.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -66.84 -175.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 115' ' ' THR . 3.2 m -120.18 138.37 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.2 p -112.22 118.85 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 125' ' ' THR . 3.2 m -80.38 79.11 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 135' ' ' VAL . 38.9 t -64.33 158.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.54 ' HA ' HG23 ' A' ' 113' ' ' VAL . 3.5 m -147.63 169.99 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.78 159.37 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 137' ' ' ASN . 1.8 t -147.16 114.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.26 -80.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' VAL . 4.9 m120 -147.21 20.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -117.46 177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -118.7 124.55 47.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.58 128.68 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.548 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -101.53 -46.14 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.5 t -156.1 100.53 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.37 164.14 12.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.39 23.33 58.82 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.792 ' CG1' HG13 ' A' ' 22' ' ' VAL . 1.6 t -90.66 52.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 22.8 m -40.84 124.59 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.669 HG22 ' SD ' ' A' ' 25' ' ' MET . 1.8 p -90.24 -102.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.6 -64.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 8.2 p30 -134.82 27.59 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.784 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -154.88 149.77 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.943 ' HB ' HG23 ' A' ' 67' ' ' THR . 44.0 m -86.17 175.99 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.571 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -142.27 127.11 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.499 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 89.5 m-85 -135.28 90.48 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.482 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 3.8 mtm -62.72 138.89 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.856 HD11 ' CE1' ' A' ' 101' ' ' HIS . 9.4 pt -129.58 165.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 8.3 p-10 -108.98 43.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.659 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -169.59 135.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 158' ' ' VAL . 54.4 t -74.18 77.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.609 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.3 tp -37.37 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.672 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.1 mtt -144.93 146.85 32.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.416 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.01 142.78 28.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.657 HG21 ' CB ' ' A' ' 109' ' ' PRO . 34.7 m -133.07 139.15 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.33 152.92 9.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.687 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.28 -33.24 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.19 -31.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.18 -72.06 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 40.0 mm-40 -42.93 -52.0 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.3 t80 -44.23 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 14' ' ' ALA . . . -47.81 -48.44 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.9 -28.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -97.59 -37.8 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -130.37 84.73 58.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -109.62 -161.56 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.75 178.24 51.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.97 -10.57 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.679 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -78.56 -35.06 46.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -46.06 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 145' ' ' VAL . 25.5 t -64.32 -44.42 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -78.52 -35.04 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.71 -59.97 9.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.703 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 11.5 ptp -55.63 -22.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -60.13 -19.33 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -89.12 -18.88 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.577 ' OD1' HG12 ' A' ' 32' ' ' VAL . 67.4 m-20 -92.83 146.61 32.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.538 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.749 HG13 ' H ' ' A' ' 31' ' ' ALA . 11.1 p 31.28 -121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.749 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.87 -72.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.577 HG12 ' OD1' ' A' ' 28' ' ' ASP . 74.1 t -30.11 -62.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.703 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.3 -64.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.655 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -49.38 -52.99 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.724 ' CB ' HG21 ' A' ' 44' ' ' THR . 40.2 t -46.48 -23.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 3.8 m120 -132.93 28.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.9 132.11 35.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 139.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.679 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 10.83 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.783 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.2 mt-10 -119.47 -19.14 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.046 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.33 -4.91 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.614 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 82.8 p -34.92 -43.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.563 HG21 ' CG ' ' A' ' 76' ' ' PHE . 60.1 m -65.32 -52.16 55.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.946 ' HG ' HD21 ' A' ' 47' ' ' LEU . 3.7 tp -45.98 -61.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.724 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -45.61 -65.69 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -31.02 -42.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HA ' HD22 ' A' ' 51' ' ' LEU . . . -63.62 -66.15 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.946 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -60.09 -62.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.9 p -36.71 -49.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 124.29 -25.4 6.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -38.38 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -85.59 -65.49 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HB2' HD23 ' A' ' 51' ' ' LEU . 2.5 t30 -112.94 121.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.05 5.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -111.38 7.29 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.777 HG21 ' CD2' ' A' ' 94' ' ' LEU . 76.8 t -125.88 138.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.1 p30 -157.78 119.57 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.616 ' O ' ' C ' ' A' ' 58' ' ' VAL . 11.7 mt -128.82 -45.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -20.21 -80.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.772 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.7 m-20 -35.74 -56.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' LEU . 71.9 m -54.78 -62.19 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.73 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.18 -32.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -92.15 54.35 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 t -122.54 -91.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -96.91 169.57 25.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -53.68 105.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 6.6 m-30 -111.19 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 1.006 HG23 ' HB ' ' A' ' 151' ' ' THR . 42.0 m -152.75 90.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 70' ' ' ALA . 5.1 t -52.97 141.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.6 m-85 -133.46 63.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.864 ' HB1' HD22 ' A' ' 43' ' ' LEU . . . -100.26 131.9 23.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -137.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.727 ' HA ' HD12 ' A' ' 155' ' ' ILE . 18.2 Cg_endo -75.0 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.642 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 25.1 p -57.01 -160.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -77.7 -39.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.27 36.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.65 -68.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.715 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 62.7 m-85 -58.54 -27.39 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -65.28 -36.51 84.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -57.96 -61.47 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.646 HD13 HG21 ' A' ' 83' ' ' THR . 25.0 mt -46.59 147.93 1.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.96 155.67 43.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -45.61 63.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.88 -52.62 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.646 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -56.31 -48.18 77.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.679 HG22 ' HE2' ' A' ' 88' ' ' LYS . 36.8 mm -61.75 -48.91 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -17.35 26.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.21 -47.02 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.532 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -57.65 -18.76 22.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.679 ' HE2' HG22 ' A' ' 84' ' ' ILE . 12.8 mttm -90.06 18.51 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 t -170.29 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.556 ' CG ' HD23 ' A' ' 93' ' ' LEU . 95.2 m-20 -116.2 -73.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER 75.61 -56.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.6 p -90.05 46.33 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.556 HD23 ' CG ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -170.04 -48.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.053 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -65.82 -38.42 88.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 99' ' ' THR . 1.3 m -54.0 -40.69 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -55.83 -39.36 71.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.576 HG22 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -66.56 -59.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.053 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -44.22 -63.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 95' ' ' THR . 67.6 p -46.04 -49.53 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.459 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.2 t80 -59.65 -20.24 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.716 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 25.3 m-70 -89.92 22.29 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.93 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.8 t -152.24 150.78 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 117' ' ' GLN . 99.8 t -133.75 136.78 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 100.7 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.08 95.27 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.5 140.48 17.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 7.0 m -153.81 150.75 28.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.3 p -85.48 161.84 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.657 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.01 46.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -153.29 20.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 112' ' ' VAL . 18.3 m120 -153.73 -52.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.37 -44.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 127' ' ' THR . 42.9 t -42.68 124.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 135.04 -179.44 17.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 65.8 m -72.74 70.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -71.12 176.52 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.996 ' O ' HG13 ' A' ' 103' ' ' VAL . 24.2 tt0 -126.66 123.66 38.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -86.37 149.96 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.93 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -47.95 -28.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.495 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 16.6 tm0? -57.09 -51.0 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 141.71 -28.46 2.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.05 178.45 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -109.82 134.03 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.412 HG13 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -104.58 108.11 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.7 m -74.7 81.49 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.672 HG13 ' CG2' ' A' ' 135' ' ' VAL . 43.9 t -72.26 146.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.671 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -147.63 -177.14 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 133' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -127.47 161.4 28.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.882 HG12 HD11 ' A' ' 159' ' ' LEU . 1.4 t -150.48 94.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 79.67 -22.99 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 3.2 m-20 155.82 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.738 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -69.34 168.93 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' VAL . 11.8 m-20 -113.31 107.87 16.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 154' ' ' MET . 93.6 t -47.07 96.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.687 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -59.69 -47.12 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 42.4 t -162.18 108.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.237 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.82 173.82 16.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.63 19.86 79.74 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -90.46 50.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 43.1 m -39.1 118.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.55 HG22 ' HG3' ' A' ' 25' ' ' MET . 2.3 p -81.23 -105.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.31 -68.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.0 p30 -130.8 46.42 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.541 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -178.97 137.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' THR . . . . . 1.006 ' HB ' HG23 ' A' ' 67' ' ' THR . 94.4 m -70.26 168.19 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -133.92 128.3 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.721 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.8 m-85 -136.63 86.76 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.642 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.3 OUTLIER -63.2 138.62 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.5 pp -133.71 160.63 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -106.29 50.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.738 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -166.98 131.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.052 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 158' ' ' VAL . 78.1 t -75.07 70.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.882 HD11 HG12 ' A' ' 135' ' ' VAL . 30.4 mt -33.98 150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.689 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.1 mtt -142.29 145.03 33.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.48 24.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 m -119.36 121.73 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.26 152.38 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 -176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.789 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.32 -46.02 4.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -40.02 -30.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -73.63 -69.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -54.45 -53.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' GLY . 68.2 t80 -48.18 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.52 -48.48 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -50.08 -32.56 15.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.54 -42.62 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -127.41 77.06 76.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p -121.64 173.34 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.85 -171.93 19.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.98 18.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.878 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -97.1 39.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.25 -172.28 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.956 HG13 HG13 ' A' ' 145' ' ' VAL . 32.8 t -78.56 -48.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -20.61 29.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.29 -46.74 25.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.819 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 9.4 ptp -63.64 -9.99 16.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -68.27 -43.15 78.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.51 -12.11 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.52 ' CG ' HG12 ' A' ' 32' ' ' VAL . 61.2 m-20 -100.12 143.71 27.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.94 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.771 HG13 ' H ' ' A' ' 31' ' ' ALA . 13.8 p 31.21 -124.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.771 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -7.79 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 35' ' ' SER . 83.3 t -29.6 -61.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.819 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.14 -56.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 1.007 ' HB2' HG21 ' A' ' 44' ' ' THR . 0.1 OUTLIER -55.12 -17.61 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.493 ' N ' HD22 ' A' ' 36' ' ' ASN . 1.5 m-80 -97.47 -34.99 10.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.66 ' O ' HG23 ' A' ' 41' ' ' THR . 2.4 m-20 -60.94 131.38 91.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 174.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.878 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 8.07 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.744 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -120.07 -18.78 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.057 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.7 -10.26 16.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -39.17 -39.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.607 HG23 ' CE2' ' A' ' 76' ' ' PHE . 5.2 t -70.7 -45.81 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.999 HD13 ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -51.57 -68.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 1.007 HG21 ' HB2' ' A' ' 35' ' ' SER . 0.2 OUTLIER -46.53 -63.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.45 -41.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.2 -70.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.781 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -50.79 -60.87 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.547 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.12 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.9 -21.28 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.0 mt-30 -46.15 -22.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -112.42 -44.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.867 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.49 91.39 20.16 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -129.55 3.15 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 52' ' ' ASN . 8.4 p -150.23 150.95 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -150.91 104.5 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 60' ' ' THR . 8.4 mp -104.55 -32.54 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.593 HG13 ' N ' ' A' ' 59' ' ' ASP . 12.8 p -37.88 -57.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -46.86 -43.35 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.3 m -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.0 mt -34.14 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 60' ' ' THR . 0.8 OUTLIER -87.58 53.18 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -124.43 -88.85 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.48 -175.98 40.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 mp0 -76.02 105.93 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 15.4 m-30 -112.87 -168.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 1.013 HG23 ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.67 92.85 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.984 HG12 ' HB2' ' A' ' 70' ' ' ALA . 43.7 t -51.72 138.08 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.614 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.5 m-85 -130.07 70.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.984 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -106.91 126.9 29.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -135.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.999 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.99 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.564 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 62.7 p -61.83 -159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.46 4.44 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.49 -1.96 20.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' HB1' ' C ' ' A' ' 157' ' ' SER . . . -98.55 -60.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.768 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 59.1 m-85 -55.78 -19.65 12.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -16.62 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.34 -48.02 62.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 158' ' ' VAL . 7.9 mt -69.47 151.77 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.51 36.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.76 -42.85 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 t -48.64 -42.01 32.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -47.03 66.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -62.67 -55.16 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -24.77 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.0 tp10 -82.3 -47.11 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 87' ' ' LEU . 4.7 mt -53.77 -20.98 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -86.15 8.87 19.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' GLU . 73.1 p -144.45 13.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.481 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.1 m-20 -121.44 161.05 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.63 20.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.96 -45.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.053 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -82.43 -29.79 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.033 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -47.12 12.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.491 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -49.8 -45.73 50.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 11.3 p -49.71 -40.8 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.764 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -67.42 -58.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.033 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.23 -56.54 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.7 p -49.11 -48.61 44.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 1.021 ' CE1' HG13 ' A' ' 124' ' ' VAL . 11.9 t80 -65.25 -11.58 42.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.682 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.0 m-70 -95.56 22.89 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -161.26 131.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.801 HG13 HH21 ' A' ' 116' ' ' ARG . 2.5 t -109.64 163.15 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -105.17 101.86 11.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 126.79 91.66 0.79 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -45.36 134.77 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.2 m -143.57 147.84 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.643 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 5.9 p -87.65 161.86 43.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HG3' ' HA3' ' A' ' 144' ' ' GLY . 18.2 Cg_endo -74.99 46.9 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.67 15.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 113' ' ' VAL . 79.6 m-20 -152.73 -53.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.643 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.33 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 111' ' ' ASN . 84.4 t -43.28 141.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.46 -107.44 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.76 HG23 ' HB2' ' A' ' 123' ' ' SER . 1.9 m -147.81 97.34 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.801 HH21 HG13 ' A' ' 103' ' ' VAL . 2.9 mmm180 -81.61 170.23 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -119.33 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.909 HG21 ' CD1' ' A' ' 100' ' ' TYR . 73.4 p -53.86 143.12 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.056 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -50.89 -20.65 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 1.056 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -63.56 -51.07 66.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.27 -14.81 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.467 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 156.07 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.76 ' HB2' HG23 ' A' ' 115' ' ' THR . 37.0 p -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 1.021 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -125.89 103.1 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.9 m -65.96 88.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 135' ' ' VAL . 15.8 t -85.33 149.19 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.475 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -141.67 170.32 15.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -129.31 163.64 25.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 126' ' ' VAL . 1.2 t -165.66 128.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.707 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . 44.17 36.1 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 11.2 t-20 89.33 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.615 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -58.96 -179.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -125.83 121.21 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 91.0 t -58.13 111.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.789 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -79.3 -42.64 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.2 t -165.43 106.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.33 164.76 12.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.412 ' HA3' ' HG3' ' A' ' 109' ' ' PRO . . . 86.65 14.92 64.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.956 HG13 HG13 ' A' ' 22' ' ' VAL . 1.8 t -87.36 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 41.2 m -37.29 112.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.558 HG23 ' CG2' ' A' ' 152' ' ' VAL . 1.4 p -79.42 -101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -109.24 -83.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 150' ' ' ALA . 0.7 OUTLIER -110.81 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 149' ' ' ASN . . . 175.27 150.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' THR . . . . . 1.013 ' HB ' HG23 ' A' ' 67' ' ' THR . 42.5 m -81.94 172.41 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' A' ' 147' ' ' THR . 1.5 t -132.23 124.3 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.716 ' CE2' HG21 ' A' ' 151' ' ' THR . 67.6 m-85 -135.51 81.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.564 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 11.8 mtm -58.28 147.0 32.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.5 167.13 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -103.5 32.48 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.615 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -161.37 151.76 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 158' ' ' VAL . 56.1 t -75.22 14.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.871 HD21 HG12 ' A' ' 135' ' ' VAL . 13.7 mt 51.43 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.76 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 84.1 139.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.06 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.0 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.479 HG21 ' CB ' ' A' ' 109' ' ' PRO . 6.7 m -120.62 127.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.37 154.62 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -174.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -64.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -45.18 -40.55 7.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -28.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.2 -74.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -44.97 -52.93 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 40.2 t80 -37.82 -65.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.68 -46.71 7.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.58 -40.08 37.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.85 -48.2 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -121.45 86.27 43.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 p -128.24 146.89 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -165.99 25.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -27.44 10.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.875 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -89.26 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -122.19 177.19 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.027 HG13 HG13 ' A' ' 145' ' ' VAL . 42.8 t -68.68 -22.73 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -99.64 -46.49 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.52 -23.15 8.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.664 ' SD ' HG12 ' A' ' 145' ' ' VAL . 14.5 ptp -90.58 -13.04 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.452 ' HA ' ' C ' ' A' ' 147' ' ' THR . 30.7 t -76.52 -50.15 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.32 -22.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -110.93 166.52 10.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.0 161.39 38.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.9 p -38.23 -31.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -66.64 -96.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 32' ' ' VAL . 17.4 t -37.5 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' MET . . . -40.44 -41.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -87.09 -34.23 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.6 t -57.07 -15.74 5.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -81.33 -40.5 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' ND2' ' HD2' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -68.9 134.03 90.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -170.053 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.875 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.03 3.67 5.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.837 ' HA ' HD22 ' A' ' 73' ' ' ASN . 2.8 mt-10 -117.68 -2.63 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 154' ' ' MET . 68.6 mt -114.93 -29.77 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.5 -33.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.2 m -69.4 -54.15 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.884 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.95 -56.89 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.67 ' HA ' HD11 ' A' ' 47' ' ' LEU . 24.8 m -46.17 -56.06 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -44.14 -39.79 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.72 -69.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.884 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.16 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.661 ' HA ' HG23 ' A' ' 58' ' ' VAL . 2.5 t -43.29 -70.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.3 -21.1 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.5 mt-30 -45.38 -23.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.96 -45.05 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.879 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.25 90.8 17.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.99 22.62 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.48 3.06 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.879 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -149.95 145.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.0 p30 -145.85 93.5 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 99' ' ' THR . 7.0 mp -84.65 -19.81 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 48' ' ' SER . 3.5 t -40.53 -61.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.85 -35.88 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 57' ' ' LEU . 28.2 m -75.21 -65.95 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' HG13 ' A' ' 30' ' ' VAL . 19.1 mt -35.73 -34.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' THR . 59.6 m-20 -88.11 48.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 2.5 t -107.01 -93.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.634 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.49 -175.54 15.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -48.43 104.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -110.5 -176.27 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 1.022 HG23 ' HB ' ' A' ' 151' ' ' THR . 41.4 m -152.12 89.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.0 t -54.55 143.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 14.0 m-85 -133.25 62.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.29 128.62 34.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -137.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.873 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.95 115.12 4.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 9.1 p -65.75 -173.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.837 HD22 ' HA ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -73.72 -3.81 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.01 -18.05 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' LYS . . . -82.18 -55.21 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 64.8 m-85 -68.19 -34.62 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -55.63 -31.01 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' LEU . 10.8 mtpp -59.88 -72.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -38.69 157.56 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 139.91 24.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.56 -43.37 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -58.26 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -51.71 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.461 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.2 mm -57.14 -47.12 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.13 -14.13 33.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.13 -37.53 14.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.563 ' HB3' HD13 ' A' ' 94' ' ' LEU . 3.7 mt -68.52 -8.86 45.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' CE ' HG22 ' A' ' 84' ' ' ILE . 9.2 mtmt -94.02 28.54 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 90' ' ' ASN . 1.2 t -170.54 -40.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.553 ' ND2' HD23 ' A' ' 87' ' ' LEU . 92.8 m-20 -35.8 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' A' ' 91' ' ' SER . 0.1 OUTLIER 70.0 11.92 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 m -136.45 -44.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -26.06 20.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.911 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -80.2 -46.43 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.43 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.7 t -48.08 -47.29 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.487 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -51.3 -38.58 53.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.938 HG22 HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -68.55 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.938 HD23 HG22 ' A' ' 97' ' ' ILE . 1.4 mt -41.45 -60.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.558 HG23 HD21 ' A' ' 57' ' ' LEU . 20.9 p -48.66 -47.69 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.663 ' CE2' ' O ' ' A' ' 160' ' ' MET . 8.8 t80 -64.66 -14.47 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.759 ' NE2' ' C ' ' A' ' 158' ' ' VAL . 8.2 m-70 -93.29 15.22 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.923 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.9 t -143.98 147.87 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.633 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 61.1 t -132.59 133.7 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 94.47 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 146.86 108.39 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.8 110.0 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 110.302 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.809 HG21 ' NH2' ' A' ' 116' ' ' ARG . 38.0 m -126.79 136.6 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.595 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 3.4 p -68.25 163.31 53.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.479 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.96 46.33 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -148.94 17.61 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.9 m-80 -152.64 -50.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.595 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -32.27 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.841 HG13 ' HA ' ' A' ' 127' ' ' THR . 98.1 t -47.68 146.7 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.43 -112.0 2.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 51.1 m -151.41 108.01 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.809 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.8 -174.01 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.27 102.37 7.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.501 HG21 ' CD1' ' A' ' 100' ' ' TYR . 43.7 p -63.06 140.74 58.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.923 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -40.34 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' OE1' ' O ' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -55.11 -59.56 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 148.58 -22.35 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.483 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -85.56 160.26 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.483 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 2.9 p -88.1 144.64 26.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 3.3 p -113.24 118.25 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -78.18 106.07 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 135' ' ' VAL . 47.4 t -100.08 154.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.841 ' HA ' HG13 ' A' ' 113' ' ' VAL . 2.4 m -146.44 168.57 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.411 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.411 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 9.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.3 OUTLIER -134.93 158.83 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 126' ' ' VAL . 1.4 t -156.91 116.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.572 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.39 41.81 32.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.0 t30 88.75 -36.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.713 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -55.73 173.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.81 120.92 37.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.28 92.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.5 t -62.32 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.4 t -143.24 105.57 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.15 161.43 12.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.44 21.81 46.68 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.027 HG13 HG13 ' A' ' 22' ' ' VAL . 1.9 t -93.97 55.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.3 m -44.43 134.67 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 6.6 p -93.8 -110.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -102.82 -40.77 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -156.36 42.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -174.02 136.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' THR . . . . . 1.022 ' HB ' HG23 ' A' ' 67' ' ' THR . 85.7 m -75.11 170.34 16.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -136.69 127.45 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -137.02 86.47 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.627 ' HG2' HD21 ' A' ' 40' ' ' LEU . 46.0 mtm -67.15 115.94 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.713 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -105.54 178.17 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.451 ' O ' ' OG ' ' A' ' 157' ' ' SER . 10.5 p-10 -112.84 45.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.657 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -172.15 125.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.759 ' C ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -68.23 16.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.657 ' H ' ' C ' ' A' ' 157' ' ' SER . 37.9 mt 34.52 -158.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.663 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 171.46 143.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.487 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 136.78 20.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CD1' ' SG ' ' A' ' 8' ' ' CYS . 3.8 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -137.81 6.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.4 151.59 17.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -169.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.576 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.98 -45.2 5.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -46.9 -39.55 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -48.85 -57.05 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -75.17 -41.32 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.8 t80 -36.56 -65.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.89 -48.04 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -47.9 -39.07 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -85.88 -49.68 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -119.76 83.5 29.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -131.1 -161.54 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.51 -174.81 45.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.03 21.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -93.93 16.91 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.56 ' O ' ' HE3' ' A' ' 25' ' ' MET . 56.7 p -92.13 162.91 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.772 ' HB ' HG13 ' A' ' 145' ' ' VAL . 3.5 m -69.35 -12.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 26' ' ' SER . 5.3 tp60 -107.27 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -42.93 23.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE3' ' O ' ' A' ' 21' ' ' SER . 17.3 ptp -64.75 -16.97 63.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.431 ' HA ' ' C ' ' A' ' 147' ' ' THR . 8.6 t -65.27 -57.86 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.6 -21.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.549 ' OD1' HG12 ' A' ' 32' ' ' VAL . 74.4 m-20 -91.84 144.87 30.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.6 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.0 102.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.977 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 24.05 -90.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.977 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -23.63 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG12 ' OD1' ' A' ' 28' ' ' ASP . 60.8 t -37.83 -49.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -45.8 -49.51 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.522 ' CB ' HG21 ' A' ' 44' ' ' THR . 13.0 m -86.76 37.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -145.24 -43.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.915 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -48.71 134.11 13.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 173.372 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.803 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 3.32 5.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.9 mt-10 -120.95 -4.01 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.678 HD22 ' HB1' ' A' ' 70' ' ' ALA . 16.0 mt -113.5 -33.86 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.1 p -32.39 -38.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.8 m -65.49 -57.22 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.906 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.66 -47.27 80.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.666 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -48.98 -52.52 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -45.24 -37.13 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.59 -69.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.871 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.66 -63.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.764 ' HA ' HG23 ' A' ' 58' ' ' VAL . 91.1 p -41.72 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 149.33 -21.16 1.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.72 -43.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -55.04 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -129.68 128.05 22.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 5.59 3.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -106.98 3.06 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.83 142.25 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 12.3 p-10 -164.5 105.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -111.28 -23.72 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.764 HG23 ' HA ' ' A' ' 48' ' ' SER . 22.0 t -34.8 -40.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.29 -57.08 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 76.0 m -56.78 -60.68 3.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.814 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -42.04 -34.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -91.38 55.2 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 t -172.98 109.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.04 144.27 10.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -61.88 110.32 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.3 m-30 -113.94 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.966 HG23 ' HB ' ' A' ' 151' ' ' THR . 45.1 m -150.86 87.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.666 ' CG1' ' HB2' ' A' ' 70' ' ' ALA . 76.9 t -51.09 134.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.601 ' CD2' HG23 ' A' ' 103' ' ' VAL . 9.1 m-85 -128.68 68.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.678 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -96.52 130.62 30.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -139.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.906 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 23.6 p -66.53 170.57 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -23.17 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.63 -21.16 38.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -76.89 -46.92 22.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.719 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 50.4 m-85 -72.13 -39.64 68.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -57.72 -35.86 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.453 ' NZ ' ' OG ' ' A' ' 157' ' ' SER . 26.4 mtpt -52.42 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.531 HD13 HG21 ' A' ' 83' ' ' THR . 15.7 mt -47.49 151.99 1.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 142.82 28.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.35 -46.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -56.3 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.531 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -51.74 -47.66 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.5 mm -62.44 -59.37 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.73 -27.43 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 89' ' ' THR . 7.9 tp10 -75.01 -46.13 37.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 87' ' ' LEU . 5.0 mt -56.1 -19.69 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 20.1 mttt -90.91 10.19 27.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 86' ' ' GLU . 3.0 t -144.37 13.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 7.2 m-20 -115.38 -150.47 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 95' ' ' THR . 15.7 t 179.16 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 t -71.93 -36.13 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -69.05 -47.74 64.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.049 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 91' ' ' SER . 2.5 m -53.89 -52.61 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.563 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.5 OUTLIER -43.04 -40.09 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.85 HG22 HD23 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -67.45 -58.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.049 HD21 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -47.96 -61.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 1.066 HG22 HD22 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -47.31 -46.06 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 9.0 t80 -62.8 -19.63 64.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.688 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.5 m-70 -90.15 18.49 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -153.29 121.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.601 HG23 ' CD2' ' A' ' 69' ' ' PHE . 96.7 t -98.8 152.19 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.42 100.78 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.08 95.16 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -53.63 145.02 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.712 ' HB ' HH21 ' A' ' 116' ' ' ARG . 1.3 m -166.6 144.53 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -74.62 166.01 48.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.783 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 51.39 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.52 -45.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 113' ' ' VAL . 44.6 m-20 -97.14 -33.05 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.771 HG13 HG11 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -38.16 -32.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.682 HG13 ' HA ' ' A' ' 127' ' ' THR . 62.8 t -55.59 137.19 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 170.73 18.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 111.49 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.712 HH21 ' HB ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -105.39 171.86 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -104.48 93.62 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.544 HG21 ' CD1' ' A' ' 100' ' ' TYR . 4.9 p -58.17 161.01 4.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.066 HD22 HG22 ' A' ' 99' ' ' THR . 10.0 tt -58.84 -53.58 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.463 ' O ' ' CD ' ' A' ' 120' ' ' GLN . 25.7 tp60 -42.92 -22.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 112.43 -23.0 16.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.545 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -69.44 -171.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 15.6 m -119.48 148.39 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.534 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 6.5 p -122.53 107.66 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 57.8 m -74.88 85.49 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.771 HG11 HG13 ' A' ' 112' ' ' VAL . 9.4 t -76.05 155.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.682 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -153.22 -175.52 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 4' ' ' VAL . 8.2 mp . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -137.07 155.77 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.753 ' CG1' HD11 ' A' ' 159' ' ' LEU . 1.6 t -148.25 115.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.35 43.17 19.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 21.2 t30 87.54 -26.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.779 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -64.44 169.66 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.2 OUTLIER -116.41 122.06 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.08 98.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.576 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.4 t -71.8 -56.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 t -147.29 100.3 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.0 164.14 12.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.49 56.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.772 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.5 t -94.06 55.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 52.1 m -45.95 125.03 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 5.6 p -90.39 -105.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -96.69 -64.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -139.1 32.64 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.704 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -159.47 131.65 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.966 ' HB ' HG23 ' A' ' 67' ' ' THR . 17.2 m -68.9 174.37 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.509 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -140.21 125.37 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.618 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 93.9 m-85 -137.04 88.86 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.55 ' O ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.96 109.76 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.779 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -101.74 175.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 21.4 p-10 -115.75 52.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -175.0 126.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 75' ' ' ALA . 37.4 t -71.8 69.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.753 HD11 ' CG1' ' A' ' 135' ' ' VAL . 56.1 mt -30.04 144.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.653 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -133.53 146.81 62.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.563 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.508 HG11 ' CB ' ' A' ' 109' ' ' PRO . 7.5 p -130.73 160.64 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 89.37 156.61 32.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.656 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.17 -37.9 3.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.6 OUTLIER -44.56 -28.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -81.57 -73.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 tt0 -46.68 -52.09 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ALA . 63.3 t80 -38.5 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.64 -55.01 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.83 -40.92 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.7 -48.04 15.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -122.5 79.87 46.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.01 -23.35 13.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -135.73 -167.99 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.02 -178.31 41.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.64 21.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -79.11 -21.33 46.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -55.16 165.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.143 HG22 HG13 ' A' ' 145' ' ' VAL . 11.6 t -65.25 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 20.1 tt0 -81.87 -49.86 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.0 -63.25 1.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.911 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 10.2 ptp -53.03 -21.86 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.1 p -67.08 -8.56 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -99.1 14.73 28.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 29.0 m-20 -135.46 152.64 76.84 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 98.03 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.723 HG13 ' H ' ' A' ' 31' ' ' ALA . 7.3 p 29.17 -118.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.723 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -9.43 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 35' ' ' SER . 60.1 t -34.75 -60.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.911 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.15 -67.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -44.1 -29.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.807 ' HB2' HG21 ' A' ' 44' ' ' THR . 1.4 p -78.15 44.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 35' ' ' SER . 30.5 m-80 -162.56 -37.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.842 ' O ' HG23 ' A' ' 41' ' ' THR . 5.6 m-20 -54.5 130.33 62.72 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 167.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.93 6.32 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.5 mm-40 -121.35 -9.4 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.77 HD22 ' HB1' ' A' ' 70' ' ' ALA . 12.1 mt -112.85 -20.31 11.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -45.33 -53.09 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.521 HG23 ' CD1' ' A' ' 76' ' ' PHE . 12.9 t -54.55 -37.36 65.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.893 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.68 -42.64 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.807 HG21 ' HB2' ' A' ' 35' ' ' SER . 1.4 m -50.43 -56.66 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.17 -36.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.06 -70.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.893 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.25 -61.3 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.493 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -44.34 -69.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 152.58 -20.87 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 25.5 mt-30 -37.02 -33.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -79.29 -50.84 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' GLY . 4.2 t30 -137.03 131.23 17.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 6.4 3.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.33 3.64 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.635 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.7 t -125.1 127.53 72.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.591 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.4 p30 -151.82 79.7 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.843 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -90.86 -6.19 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.4 t -59.69 -29.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -51.78 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' LEU . 2.7 m -62.97 -58.63 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -34.07 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 34.2 t30 -82.28 51.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -108.72 -93.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -110.93 176.24 18.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 15.6 mt-30 -48.95 106.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 11.1 m-30 -114.17 -171.94 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.876 HG23 ' HB ' ' A' ' 151' ' ' THR . 22.9 m -150.05 86.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.719 HG12 ' HB2' ' A' ' 70' ' ' ALA . 53.7 t -51.22 134.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.642 ' HE1' HG21 ' A' ' 135' ' ' VAL . 8.4 m-85 -125.31 68.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.77 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -93.62 127.83 44.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -140.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.737 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.0 113.09 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 155' ' ' ILE . 40.6 p -53.39 174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' HA ' HG21 ' A' ' 42' ' ' THR . 4.1 p-10 -65.24 -37.35 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.37 -14.35 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -76.06 -47.8 23.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 45.6 m-85 -70.4 -50.14 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -43.06 -52.76 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.8 mtmp? -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.495 HD11 ' HB ' ' A' ' 158' ' ' VAL . 17.9 mt -47.08 146.48 2.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.99 141.68 26.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.4 -43.52 2.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.0 p -49.05 -43.55 40.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.59 -47.6 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.23 -45.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -17.53 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 89' ' ' THR . 1.5 tp10 -85.36 -43.03 14.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' O ' HD22 ' A' ' 94' ' ' LEU . 6.8 mt -58.68 -17.99 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -90.88 24.82 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 86' ' ' GLU . 9.0 t -170.0 32.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 91' ' ' SER . 97.5 m-20 -115.18 -87.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 m 85.73 -4.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.49 -41.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -88.68 -24.71 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.036 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -43.13 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -54.56 -52.65 61.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.581 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -45.92 -35.36 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.914 HG22 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -70.31 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.036 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -47.83 -56.92 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.566 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 17.0 p -48.75 -49.68 37.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.88 ' CD1' HG21 ' A' ' 118' ' ' THR . 11.0 t80 -62.54 -16.29 55.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.691 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.7 m-70 -91.01 20.37 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -158.11 122.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.903 HG22 ' HA ' ' A' ' 118' ' ' THR . 8.7 t -100.82 154.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.28 102.97 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 130.52 81.18 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -32.85 137.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.5 m -150.87 153.27 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.412 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.9 p -97.36 167.66 11.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.508 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 50.47 2.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -140.3 -46.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -100.42 -30.69 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -45.45 -27.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.724 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.6 p -58.47 147.0 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.95 -176.85 23.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.8 m -75.59 93.62 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.542 ' CB ' HG23 ' A' ' 124' ' ' VAL . 6.0 mmp_? -81.93 175.78 10.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -122.89 96.56 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.925 HG23 HG22 ' A' ' 124' ' ' VAL . 1.8 p -58.45 157.67 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.978 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -66.08 -20.89 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.978 ' N ' HD23 ' A' ' 119' ' ' LEU . 33.5 tp60 -68.7 -15.63 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.91 1.77 56.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.728 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -98.76 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 m -106.7 151.07 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.925 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -124.1 109.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 125' ' ' THR . 2.8 m -67.99 65.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 124' ' ' VAL . 3.1 t -60.05 148.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.724 ' HA ' HG23 ' A' ' 113' ' ' VAL . 20.1 m -156.42 175.24 14.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.528 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.69 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.7 mtpt -139.32 161.83 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.989 ' CG1' HD11 ' A' ' 159' ' ' LEU . 1.1 t -156.7 114.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.08 -51.96 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.542 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -175.96 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.823 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -64.3 165.46 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.427 ' OD2' ' CG ' ' A' ' 156' ' ' ASP . 7.0 m-20 -103.95 122.22 44.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.69 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 53.4 t -63.68 124.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 72' ' ' THR . 2.7 t -92.13 -54.55 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 36.9 t -152.69 109.11 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 159.52 13.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.36 20.07 46.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.143 HG13 HG22 ' A' ' 22' ' ' VAL . 2.0 t -89.28 58.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 46.7 m -45.0 127.81 6.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.756 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.5 p -92.43 -100.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -106.29 -62.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -135.28 38.22 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -170.27 145.88 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.876 ' HB ' HG23 ' A' ' 67' ' ' THR . 22.9 m -80.39 178.38 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.617 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -143.45 127.2 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.496 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.1 m-85 -134.81 90.51 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.4 mtm -61.26 142.47 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 72' ' ' THR . 0.3 OUTLIER -135.97 169.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.8 p-10 -111.24 39.46 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.823 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -165.47 144.94 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 158' ' ' VAL . 54.6 t -80.32 71.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.989 HD11 ' CG1' ' A' ' 135' ' ' VAL . 12.2 mt -26.38 137.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.684 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -128.89 146.29 59.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.581 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 136.11 20.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.728 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.46 1.768 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.664 ' N ' HD22 ' A' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 109' ' ' PRO . 16.6 m -131.57 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.53 15.2 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -54.72 -42.9 79.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -41.17 -57.59 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.52 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 3.1 tt0 -43.81 -58.52 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 14' ' ' ALA . 70.5 t80 -38.29 -60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.85 -42.26 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -59.85 -45.13 93.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.46 -45.28 84.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.862 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 55.5 m-80 -125.02 74.39 66.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 18' ' ' GLY . 16.7 p -114.27 -19.85 11.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.536 ' C ' ' HG ' ' A' ' 21' ' ' SER . . . -46.51 175.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.28 11.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.862 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -79.67 1.41 26.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.536 ' HG ' ' C ' ' A' ' 18' ' ' GLY . 1.3 m -79.23 177.58 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.575 HG12 HG13 ' A' ' 145' ' ' VAL . 1.3 m -71.57 -37.87 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.16 -35.95 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.96 -29.03 71.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.616 ' CG ' HG22 ' A' ' 147' ' ' THR . 21.6 ptp -94.89 -10.19 31.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 147' ' ' THR . 9.2 t -77.17 -10.26 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.49 -21.21 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 2.2 m-20 -104.36 165.27 13.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.06 135.62 19.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.652 ' CG1' ' HB3' ' A' ' 150' ' ' ALA . 1.5 m -19.25 -52.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.881 ' CB ' HG23 ' A' ' 58' ' ' VAL . . . -43.23 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.737 HG12 ' ND2' ' A' ' 36' ' ' ASN . 6.0 t -46.44 -40.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.693 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -47.1 -23.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.806 ' C ' HG21 ' A' ' 44' ' ' THR . . . -105.56 -24.11 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.595 ' N ' HG21 ' A' ' 44' ' ' THR . 1.1 t -74.84 1.62 12.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.737 ' ND2' HG12 ' A' ' 32' ' ' VAL . 22.9 m-80 -113.31 -39.9 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 1.002 ' O ' HG23 ' A' ' 41' ' ' THR . 4.6 m-20 -52.92 130.01 48.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.791 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 4.72 4.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm-40 -121.64 -4.52 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.708 HD22 ' HB1' ' A' ' 70' ' ' ALA . 16.6 mt -114.24 -33.19 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.002 HG23 ' O ' ' A' ' 37' ' ' ASN . 5.9 p -32.83 -39.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.4 m -66.84 -56.23 11.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.892 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.26 -53.38 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.806 HG21 ' C ' ' A' ' 34' ' ' ALA . 7.4 p -46.41 -64.24 0.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -34.78 -40.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.16 -72.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.749 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -47.96 -60.23 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.0 p -37.66 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.578 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.03 -19.46 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.11 -55.24 18.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.611 HD21 ' HE2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -75.4 -46.64 31.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.754 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -110.56 95.44 22.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.99 15.75 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.6 mt-30 -128.75 5.36 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.901 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -122.41 178.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 8.2 p30 175.91 123.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 60' ' ' THR . 81.6 mt -136.7 -43.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.881 HG23 ' CB ' ' A' ' 31' ' ' ALA . 1.3 p -26.41 -70.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.745 ' H ' HG13 ' A' ' 58' ' ' VAL . 9.6 m-20 -36.14 -51.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.617 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.4 m -67.81 -62.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' CD2' HG21 ' A' ' 102' ' ' VAL . 85.0 mt -35.22 -36.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.68 ' OD1' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-20 -86.2 51.61 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 2.1 m -175.88 107.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.77 126.92 5.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 9.9 mt-30 -47.0 107.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 8.4 m-30 -114.97 179.47 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.748 HG23 ' HB ' ' A' ' 151' ' ' THR . 4.0 m -144.97 87.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.859 HG12 ' HB2' ' A' ' 70' ' ' ALA . 18.3 t -53.72 127.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.656 ' HE1' HG21 ' A' ' 135' ' ' VAL . 11.0 m-85 -116.36 66.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.859 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.12 129.28 37.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -140.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.892 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 155' ' ' ILE . 72.9 p -58.21 168.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.44 -24.19 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.95 51.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.75 -47.23 40.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.682 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 34.9 m-85 -65.68 -38.74 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -43.62 67.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -44.25 -66.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.69 150.22 0.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.18 41.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -56.57 -56.38 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ALA . 8.4 m -38.09 -47.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.63 66.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.7 HG22 ' HE3' ' A' ' 88' ' ' LYS . 40.9 mm -57.72 -44.22 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.63 43.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.34 -35.97 12.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.5 mt -68.28 -15.33 63.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 84' ' ' ILE . 55.1 mttt -91.77 31.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 90' ' ' ASN . 5.0 t -171.97 -38.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.553 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.8 m-20 -38.36 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 2.2 t 88.63 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -105.62 29.7 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.522 HD23 ' CG ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -162.94 -43.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.901 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.23 -42.9 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.475 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.9 OUTLIER -48.73 -46.81 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.576 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.0 OUTLIER -51.55 -41.88 61.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG22 HD23 ' A' ' 98' ' ' LEU . 2.0 mt -63.07 -61.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.819 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -46.74 -53.12 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.542 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.4 p -52.79 -50.15 64.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.747 ' CE1' HG13 ' A' ' 124' ' ' VAL . 7.6 t80 -63.85 -10.57 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.802 ' CE1' HD11 ' A' ' 155' ' ' ILE . 20.5 m-70 -95.83 22.29 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -157.22 132.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 118' ' ' THR . 5.7 t -113.14 166.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.44 111.86 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 155.82 -53.38 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.455 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.31 101.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 111' ' ' ASN . 38.3 m -131.11 139.67 49.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.585 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.7 p -67.17 164.97 31.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.609 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.04 46.49 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -152.33 19.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.6 m-20 -153.05 -50.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.21 -40.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.575 HG13 ' HA ' ' A' ' 127' ' ' THR . 73.2 t -38.98 154.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.94 -122.44 7.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 m -136.17 115.58 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.54 ' HD3' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -109.45 166.59 10.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -112.5 99.65 8.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.854 HG23 HG22 ' A' ' 124' ' ' VAL . 4.1 p -58.73 146.43 36.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.051 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -49.51 -26.23 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 1.051 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -60.87 -50.46 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.12 -19.29 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.595 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -83.18 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 67.6 m -97.1 157.21 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.854 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -126.59 106.82 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -74.98 88.94 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.006 HG22 HG22 ' A' ' 135' ' ' VAL . 31.9 t -83.95 148.05 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.575 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -153.83 -174.72 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -132.45 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.006 HG22 HG22 ' A' ' 126' ' ' VAL . 1.2 t -151.33 112.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.92 -54.76 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 135' ' ' VAL . 2.7 t30 -168.01 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.857 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -61.63 170.24 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.53 123.51 47.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.55 134.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.461 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -107.9 -47.22 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.9 t -154.96 99.46 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.09 173.52 16.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.14 16.1 80.94 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.575 HG13 HG12 ' A' ' 22' ' ' VAL . 1.8 t -83.21 52.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 69.1 m -39.59 132.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.693 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 2.6 p -103.18 -109.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.68 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -121.59 37.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.652 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -170.94 164.47 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.748 ' HB ' HG23 ' A' ' 67' ' ' THR . 19.8 m -100.8 -178.01 3.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.669 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -145.57 128.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.529 ' OH ' ' O ' ' A' ' 107' ' ' THR . 73.7 m-85 -137.88 90.13 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.496 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -62.36 138.78 58.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.802 HD11 ' CE1' ' A' ' 101' ' ' HIS . 8.5 pt -130.42 165.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' A' ' 157' ' ' SER . 19.7 p-10 -110.24 45.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.857 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -172.54 133.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 159' ' ' LEU . 71.1 t -75.33 80.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.606 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -38.37 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 7.3 mtp -148.27 146.7 23.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.576 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 127.24 10.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.759 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.595 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.696 ' CD1' HG21 ' A' ' 22' ' ' VAL . 3.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 143' ' ' GLY . 7.8 p -124.13 173.95 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.552 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.38 151.07 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -75.04 -66.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.774 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.52 -45.16 2.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.51 -40.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -56.9 -50.18 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.3 t80 -35.74 -65.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.3 -58.0 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -39.5 -43.69 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -51.25 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -122.35 81.53 45.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.94 -24.74 12.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -133.53 -159.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 81.31 175.22 49.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.819 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -81.55 -44.26 17.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -49.92 178.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.773 HG22 HG13 ' A' ' 145' ' ' VAL . 65.1 t -62.89 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.22 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -62.04 -63.24 4.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 16.9 ptp -59.99 -11.98 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 1.4 t -66.08 -49.91 65.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.27 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.88 155.29 41.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.06 148.93 35.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 3.5 p -26.96 -50.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.98 ' HB1' HG23 ' A' ' 58' ' ' VAL . . . -48.34 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -45.13 -44.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 147' ' ' THR . . . -45.99 -38.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -91.0 -26.74 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -4.09 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -100.32 -46.49 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.754 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -46.53 132.31 8.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -174.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.819 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.97 2.07 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.552 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 2.2 mm-40 -122.08 -2.77 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 16.5 mt -114.2 -32.8 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -35.04 -42.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.518 HG23 ' CD1' ' A' ' 76' ' ' PHE . 6.1 t -60.92 -53.45 57.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.852 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.19 -41.1 92.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.499 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 16.9 m -49.8 -62.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.13 -38.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.42 -69.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.749 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -54.85 -59.37 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.526 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 5.9 p -38.64 -61.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 139.03 -23.22 2.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 mt-30 -38.61 -45.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD21 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -61.17 -61.07 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.469 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -123.27 130.59 24.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 4.91 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -108.66 1.06 20.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.91 146.56 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -168.41 92.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 60' ' ' THR . 9.3 mp -100.72 -37.27 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.98 HG23 ' HB1' ' A' ' 31' ' ' ALA . 6.2 p -31.95 -58.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.564 ' H ' HG13 ' A' ' 58' ' ' VAL . 3.9 m-20 -48.75 -52.7 22.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.3 m -61.84 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.659 HD22 HG11 ' A' ' 102' ' ' VAL . 15.4 mt -30.0 -44.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' THR . 31.3 t30 -81.8 53.36 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' THR . 67.7 m -166.66 109.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 85.42 131.46 2.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -44.14 108.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.802 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.6 m-30 -114.84 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.986 HG23 ' HB ' ' A' ' 151' ' ' THR . 80.1 m -153.87 89.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.865 HG12 ' HB2' ' A' ' 70' ' ' ALA . 5.3 t -53.65 144.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.431 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 6.8 m-85 -132.26 63.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.865 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.59 131.18 27.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -135.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.852 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.98 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.57 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.6 p -60.43 177.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.552 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 43.9 m-20 -61.66 -42.01 98.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.07 -18.34 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -75.98 -46.98 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 42.5 m-85 -75.13 -45.82 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -43.99 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 3.6 mtmp? -44.87 -61.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 HG11 ' A' ' 158' ' ' VAL . 21.9 mt -45.87 145.9 2.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.78 -50.19 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.94 -51.45 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.963 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.51 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.91 -47.8 81.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.404 HG22 ' CE ' ' A' ' 88' ' ' LYS . 34.9 mm -62.02 -51.85 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -21.18 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 7.7 tp10 -80.88 -41.76 22.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.692 ' O ' HD21 ' A' ' 51' ' ' LEU . 6.6 mt -61.39 -24.86 66.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 24.8 mttt -84.02 9.45 12.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 p -139.71 10.09 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.498 ' ND2' HD23 ' A' ' 93' ' ' LEU . 19.0 m-20 -109.96 -154.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 95' ' ' THR . 12.8 p 173.64 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -37.58 7.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.042 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.498 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -74.48 -38.62 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.067 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.73 -42.67 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.464 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.5 m -54.04 -53.09 57.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.464 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -44.62 -40.61 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.95 HG22 HD23 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -64.26 -64.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.067 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.79 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.894 ' HA ' HD21 ' A' ' 119' ' ' LEU . 6.8 p -48.85 -52.4 24.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.734 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -56.73 -17.7 9.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.693 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.4 m-70 -93.66 26.27 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.659 HG11 HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -148.14 159.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 118' ' ' THR . 3.0 t -143.34 134.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.47 105.29 17.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.47 91.27 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -44.85 126.62 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.467 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 55.9 m -136.86 143.51 43.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 p -81.44 161.7 61.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 51.58 2.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -140.71 -45.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 113' ' ' VAL . 24.8 m-20 -96.33 -30.52 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.94 -24.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.0 p -67.0 145.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.09 -110.45 2.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.6 m -136.65 104.6 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 116' ' ' ARG . 3.2 mmp_? -100.34 165.54 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -109.13 114.36 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.644 ' HA ' HG22 ' A' ' 103' ' ' VAL . 23.1 p -75.31 151.86 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.894 HD21 ' HA ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -62.62 -11.29 16.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.824 ' N ' HD23 ' A' ' 119' ' ' LEU . 8.8 tp60 -73.91 -34.26 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.11 -17.01 8.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 118' ' ' THR . . . -90.44 173.06 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 m -104.33 142.75 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.531 ' CG2' HG13 ' A' ' 135' ' ' VAL . 2.2 p -116.44 109.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -73.08 99.15 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 135' ' ' VAL . 17.1 t -91.44 158.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.65 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -153.8 177.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.441 HD12 ' CG2' ' A' ' 4' ' ' VAL . 5.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -125.12 156.45 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.557 HG22 HG13 ' A' ' 126' ' ' VAL . 8.8 t -138.25 102.19 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.06 -49.99 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -167.6 -37.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.813 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -61.86 174.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.33 112.52 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 135' ' ' VAL . 21.7 t -52.2 98.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.774 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.69 -57.83 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 13.1 t -144.31 107.38 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.753 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -114.93 160.98 12.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.03 16.62 55.71 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.773 HG13 HG22 ' A' ' 22' ' ' VAL . 1.8 t -87.62 64.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.1 m -57.28 123.78 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 10.8 p -81.8 -107.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -105.5 -40.78 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 2.9 p30 -156.28 37.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.715 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -168.63 134.22 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.986 ' HB ' HG23 ' A' ' 67' ' ' THR . 53.4 m -78.58 170.05 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.1 t -140.12 129.28 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.674 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 86.4 m-85 -133.13 85.82 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -59.54 141.47 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.2 pp -136.68 169.97 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.471 ' O ' ' OG ' ' A' ' 157' ' ' SER . 8.6 p-10 -113.26 52.56 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.813 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -173.13 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 158' ' ' VAL . 55.3 t -74.52 69.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.626 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -33.41 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.734 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.5 mtt -136.71 146.01 53.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.464 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 123.51 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.6 mm? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 143' ' ' GLY . 32.2 m -118.3 136.13 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.45 152.59 9.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -45.58 -42.62 10.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -43.84 -28.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -69.7 -65.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -62.14 -50.99 69.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 72.4 t80 -37.88 -66.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.57 -48.96 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -52.01 -43.73 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.36 -49.88 30.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -118.09 82.22 17.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.09 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 -162.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.451 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.08 -177.64 54.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -11.7 21.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.47 28.66 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' MET . 86.0 p -111.99 178.62 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.988 HG22 HG13 ' A' ' 145' ' ' VAL . 37.1 t -74.31 -43.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 18.7 pt20 -84.79 -49.69 8.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 23' ' ' GLN . . . -46.88 -38.61 10.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.79 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.5 ptp -79.58 -20.11 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.2 OUTLIER -60.39 -32.79 71.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.01 -0.49 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.2 m-20 -111.22 144.68 30.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.02 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.694 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.1 p 31.52 -120.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.54 -71.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.9 t -34.04 -61.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.79 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -39.36 -67.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -50.1 -29.62 9.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.69 ' CB ' HG21 ' A' ' 44' ' ' THR . 1.5 p -77.61 44.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 34' ' ' ALA . 23.0 m-80 -163.92 -38.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.947 ' O ' HG23 ' A' ' 41' ' ' THR . 3.7 m-20 -51.42 131.34 34.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 170.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.835 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.94 3.93 5.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.443 1.759 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -119.97 -7.5 9.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 34' ' ' ALA . 36.3 mt -110.76 -31.07 7.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.947 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.4 p -35.17 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.5 m -64.59 -55.63 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.819 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.97 -42.44 98.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.69 HG21 ' CB ' ' A' ' 35' ' ' SER . 51.9 m -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.7 -35.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.51 -69.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -52.59 -59.8 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.489 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 3.0 p -37.93 -60.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 135.82 -19.63 3.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.04 -50.98 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.492 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -59.97 -64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 89' ' ' THR . 0.5 OUTLIER -112.07 126.31 28.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 3.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -112.8 5.73 17.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.665 HG21 ' CD2' ' A' ' 94' ' ' LEU . 38.7 t -117.89 147.42 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -170.7 94.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.5 mm? -94.76 -48.77 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -24.7 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.77 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.3 t70 -32.86 -50.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.595 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.8 m -63.8 -72.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.452 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.954 HD22 HG21 ' A' ' 102' ' ' VAL . 16.3 mt -38.11 -36.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -80.43 49.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -136.07 -82.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.574 ' O ' ' CD2' ' A' ' 66' ' ' TYR . . . -96.62 173.61 29.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -64.44 133.44 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.279 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.803 ' HB3' HG23 ' A' ' 102' ' ' VAL . 59.6 m-85 -139.18 177.63 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.833 HG23 ' HB ' ' A' ' 151' ' ' THR . 19.5 m -142.95 87.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.924 HG12 ' HB2' ' A' ' 70' ' ' ALA . 43.4 t -52.4 129.41 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.642 ' CE1' HG21 ' A' ' 135' ' ' VAL . 13.8 m-85 -120.1 71.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.924 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.13 125.22 42.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -136.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.819 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 155' ' ' ILE . 20.7 p -52.89 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -81.38 -9.0 59.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.62 -14.68 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.612 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -74.22 -32.15 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.81 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.4 m-85 -85.62 -37.57 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 t -59.51 -26.83 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -53.71 -45.98 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.42 157.02 89.13 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.56 26.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.57 -35.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -52.49 57.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -45.8 90.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.747 HG22 ' CE ' ' A' ' 88' ' ' LYS . 36.1 mm -63.28 -46.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -12.67 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.88 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' HD21 ' A' ' 51' ' ' LEU . 6.2 mt -58.93 -19.69 44.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.747 ' CE ' HG22 ' A' ' 84' ' ' ILE . 12.4 mttt -89.97 25.79 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.565 ' N ' HD21 ' A' ' 52' ' ' ASN . 9.1 t -174.16 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.6 m-20 -119.92 -75.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.416 ' CB ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER 73.64 6.02 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.73 -57.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.944 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -76.75 -17.55 59.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.957 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -87.03 -51.33 6.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 55' ' ' VAL . 3.0 m -49.75 -45.97 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.475 ' HB2' ' CG ' ' A' ' 161' ' ' PRO . 85.6 p -49.53 -44.64 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.959 HG22 HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -63.86 -60.84 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.959 HD23 HG22 ' A' ' 97' ' ' ILE . 1.4 mt -42.21 -62.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.485 HG22 HD11 ' A' ' 119' ' ' LEU . 4.7 p -49.26 -45.25 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.658 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.2 t80 -66.98 -7.4 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.681 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.3 m-70 -103.1 22.44 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.954 HG21 HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -158.08 115.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.578 HG11 ' HG2' ' A' ' 116' ' ' ARG . 89.4 t -99.58 124.73 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' TYR . . . -80.66 114.68 19.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 156.51 -49.0 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 81.4 119.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.72 HG21 ' NH2' ' A' ' 116' ' ' ARG . 20.2 m -148.96 143.11 25.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 112' ' ' VAL . 60.2 p -74.13 163.04 71.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -74.98 48.1 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.61 19.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.565 ' O ' ' C ' ' A' ' 112' ' ' VAL . 23.6 m-20 -154.46 -51.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.565 ' C ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -27.22 -45.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 127' ' ' THR . 6.8 p -40.07 145.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.07 -112.97 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.4 m -152.99 102.65 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.72 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -95.07 -168.55 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.67 104.73 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.53 HG21 ' CD1' ' A' ' 100' ' ' TYR . 43.0 p -59.76 167.71 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.68 HD23 HG13 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -67.1 -25.52 66.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.2 tp60 -60.65 -19.82 59.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.15 -6.91 54.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.869 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -92.32 156.51 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.0 m -86.98 140.46 29.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.423 HG11 HG21 ' A' ' 103' ' ' VAL . 2.4 p -113.77 105.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.8 m -70.23 114.81 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.787 HG13 HG23 ' A' ' 135' ' ' VAL . 3.5 t -109.37 146.43 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.656 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -154.12 168.67 25.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.438 ' HB2' ' HB ' ' A' ' 140' ' ' VAL . 10.2 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 138' ' ' ALA . 13.3 mttt -135.61 157.15 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.033 ' O ' HD11 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -151.09 100.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 80.84 -27.61 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER 156.64 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -71.99 169.35 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.4 115.5 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 154' ' ' MET . 39.9 t -53.49 111.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.573 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -78.87 -45.72 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.29 104.1 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.76 166.0 12.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.1 16.44 67.26 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.988 HG13 HG22 ' A' ' 22' ' ' VAL . 1.6 t -84.17 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.6 m -40.96 124.08 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.538 ' CG2' ' CB ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -91.56 -96.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.137 . . . . 0.0 110.407 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -111.75 -78.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -116.73 24.54 11.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -156.15 155.91 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.833 ' HB ' HG23 ' A' ' 67' ' ' THR . 25.5 m -93.64 178.74 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.63 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -143.74 126.95 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.559 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 87.6 m-85 -135.27 86.27 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.557 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -55.71 147.67 18.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' THR . 0.5 OUTLIER -141.49 -171.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.71 29.99 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.851 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 19.4 m -160.86 139.27 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 158' ' ' VAL . 0.8 OUTLIER -76.12 23.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.033 HD11 ' O ' ' A' ' 135' ' ' VAL . 1.2 mp 32.95 -159.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.658 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 170.4 139.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.475 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.04 130.17 12.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.869 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 109' ' ' PRO . 27.6 m -132.66 135.25 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.94 151.49 7.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 176.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -75.02 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.48 -49.65 5.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.93 -36.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -58.88 -75.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.677 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -56.23 -51.69 67.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' ALA . 73.7 t80 -35.83 -64.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.77 -44.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.4 -50.98 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.71 -50.77 48.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -116.65 84.67 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -120.53 151.36 39.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.6 -166.87 21.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -52.01 -23.01 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.517 ' O ' ' HE3' ' A' ' 25' ' ' MET . 4.4 m -61.14 171.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.002 ' HB ' HG13 ' A' ' 145' ' ' VAL . 15.5 m -92.67 50.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -167.16 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -30.03 7.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.634 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.2 ptp -67.87 -10.99 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' C ' ' A' ' 147' ' ' THR . 12.5 t -61.26 -54.28 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.63 -20.08 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -94.13 137.99 22.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.613 ' HA ' ' HB3' ' A' ' 148' ' ' ALA . 18.3 Cg_endo -75.0 100.49 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.86 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 2.4 p 29.42 -106.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.751 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -16.46 -75.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 94.9 t -36.28 -61.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.96 -68.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.94 -29.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.732 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -81.5 46.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -154.64 -44.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 t-20 -55.36 134.73 69.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.11 3.83 5.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.09 -5.12 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' ' 70' ' ' ALA . 54.6 mt -112.35 -28.91 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -38.65 -35.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -51.49 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.904 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.97 -54.04 40.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.732 HG21 ' CB ' ' A' ' 35' ' ' SER . 2.0 m -45.48 -56.1 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.66 -40.23 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.53 -71.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.709 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -47.39 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.527 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -44.04 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.09 -20.59 1.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -47.0 -22.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -110.62 -44.48 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.899 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -111.78 95.93 30.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 12.3 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 52' ' ' ASN . 6.8 mt-30 -120.89 -3.4 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.899 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -123.44 176.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.8 p30 177.77 103.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.632 ' O ' ' C ' ' A' ' 58' ' ' VAL . 4.3 mm? -102.56 -45.75 4.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.649 HG13 ' H ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -20.17 -74.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' H ' HG13 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -34.55 -58.79 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.4 m -57.82 -53.36 59.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' CD2' HG21 ' A' ' 102' ' ' VAL . 10.0 mt -40.72 -44.79 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.95 49.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' THR . 28.9 m -110.92 -91.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.19 178.62 19.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.1 mt-30 -54.63 106.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -113.3 -177.95 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.956 HG23 ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.94 89.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.083 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.9 HG12 ' HB2' ' A' ' 70' ' ' ALA . 98.8 t -55.01 132.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.688 ' CD2' HG23 ' A' ' 103' ' ' VAL . 13.3 m-85 -122.9 74.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.9 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -103.83 124.24 38.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -137.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.904 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.05 122.21 7.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 155' ' ' ILE . 8.8 p -53.58 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.61 -7.17 58.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.7 -13.64 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -73.96 -29.07 61.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 37.8 m-85 -91.46 -42.52 10.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -51.29 -23.17 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmp? -63.98 -31.33 72.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 158' ' ' VAL . 17.0 mt -78.83 153.54 77.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 136.77 20.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.76 -49.13 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 t -41.03 -50.79 3.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -51.54 69.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.571 HG22 ' CE ' ' A' ' 88' ' ' LYS . 35.7 mm -58.72 -53.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -48.83 -22.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 89' ' ' THR . 6.0 tp10 -88.68 -40.19 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.576 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.2 mt -65.6 -11.72 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.571 ' CE ' HG22 ' A' ' 84' ' ' ILE . 3.2 mtmp? -94.45 32.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.8 t -164.48 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.453 ' ND2' HD23 ' A' ' 87' ' ' LEU . 6.7 m-20 -60.39 172.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 p -158.6 24.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.22 -46.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -76.89 -28.36 55.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.846 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -89.05 -55.25 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -43.74 -35.88 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -61.94 -41.13 97.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.508 HG13 ' CD ' ' A' ' 161' ' ' PRO . 3.5 mt -67.66 -50.4 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.846 HD21 ' CD1' ' A' ' 94' ' ' LEU . 1.5 mt -49.6 -64.87 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 102' ' ' VAL . 31.5 p -48.02 -50.11 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.722 ' CE2' ' O ' ' A' ' 160' ' ' MET . 24.0 t80 -57.76 -19.4 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.715 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 33.4 m-70 -91.27 22.25 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -159.59 124.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.921 HG11 ' CD ' ' A' ' 116' ' ' ARG . 14.8 t -108.23 148.03 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.735 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -87.17 95.68 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.05 105.5 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.44 113.93 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.412 ' HB ' HG13 ' A' ' 112' ' ' VAL . 5.7 m -122.54 151.01 41.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.622 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 54.1 p -88.71 161.28 42.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 47.98 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -156.19 21.77 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.544 ' O ' ' N ' ' A' ' 113' ' ' VAL . 47.9 m-20 -155.69 -50.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.07 -39.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.2 t -37.9 141.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.06 -167.31 15.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 91.4 m -76.24 111.57 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.921 ' CD ' HG11 ' A' ' 103' ' ' VAL . 5.8 tpm_? -115.78 121.41 42.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.881 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.5 tt0 -79.94 113.71 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.549 ' HA ' HG13 ' A' ' 103' ' ' VAL . 5.1 p -85.75 174.33 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 104' ' ' ALA . 10.6 mt -53.94 -57.65 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -38.18 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.92 -29.41 8.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -63.79 172.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.3 129.58 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.666 ' CG2' HG13 ' A' ' 135' ' ' VAL . 9.1 p -103.98 119.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.2 m -79.03 109.92 13.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.02 HG22 HG22 ' A' ' 135' ' ' VAL . 42.3 t -102.26 148.14 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -155.16 178.66 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' A' ' 140' ' ' VAL . 10.3 mp . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 135' ' ' VAL . 4.8 mttt -134.17 161.03 36.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.02 HG22 HG22 ' A' ' 126' ' ' VAL . 1.8 t -158.65 120.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.63 44.0 6.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.9 t30 88.16 -36.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.811 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -53.55 171.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.2 m-20 -121.66 115.13 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 133' ' ' LEU . 75.3 t -57.92 118.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 72' ' ' THR . 2.1 t -92.56 -40.97 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.8 t -163.24 103.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.5 164.0 12.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.79 21.29 56.26 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.002 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.2 t -90.98 52.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 71.6 m -44.76 133.28 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.7 p -97.9 -101.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.93 -62.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -138.08 23.07 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.86 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -148.01 142.58 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.956 ' HB ' HG23 ' A' ' 67' ' ' THR . 43.2 m -84.47 172.61 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.52 ' N ' HG22 ' A' ' 151' ' ' THR . 1.3 t -138.55 128.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 151' ' ' THR . 78.8 m-85 -136.41 87.09 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.9 mtm -56.71 142.1 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.811 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 2.0 pt -137.02 173.97 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.6 p-10 -110.62 36.14 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.626 ' CA ' ' HB1' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -170.53 143.92 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.89 HG23 ' CG ' ' A' ' 160' ' ' MET . 4.2 m -76.09 37.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER 34.43 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.89 ' CG ' HG23 ' A' ' 158' ' ' VAL . 14.1 mtp 86.08 138.82 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.508 ' CD ' HG13 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 115.68 4.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.453 HD13 HG21 ' A' ' 22' ' ' VAL . 2.7 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 5' ' ' GLY . 12.0 p -109.05 165.05 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 90.37 156.18 32.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.98 -36.79 5.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -42.28 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -75.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.745 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -40.98 -53.51 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 64.9 t80 -43.76 -62.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.33 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -62.2 -43.54 98.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 -48.87 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -117.04 83.7 15.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.1 p -147.39 114.73 6.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.27 -149.85 7.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.52 5.29 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -87.11 -105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ALA . 86.9 p 39.99 -162.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.755 HG22 HG13 ' A' ' 145' ' ' VAL . 51.2 t -93.13 -25.08 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -96.72 -30.67 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.38 -23.17 59.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.482 ' CE ' HG11 ' A' ' 145' ' ' VAL . 15.8 ptp -96.7 -13.23 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -66.59 -74.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.996 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.5 mt-30 -38.21 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' SER . 67.7 m-20 -95.39 152.29 39.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.725 ' HA ' ' HB3' ' A' ' 148' ' ' ALA . 18.2 Cg_endo -75.04 157.96 42.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.648 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 1.9 p -29.95 -43.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -56.23 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.659 HG12 ' OD1' ' A' ' 36' ' ' ASN . 94.3 t -38.7 -39.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.568 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.21 -46.7 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.24 -25.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.656 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -72.09 -0.98 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.659 ' OD1' HG12 ' A' ' 32' ' ' VAL . 33.8 m120 -107.14 -38.51 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.977 ' O ' HG23 ' A' ' 41' ' ' THR . 3.5 m-20 -59.2 131.02 87.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 1.93 7.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.673 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.5 mm-40 -115.96 -3.74 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 39' ' ' GLU . 12.0 mt -119.9 -32.73 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.977 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.5 p -33.41 -37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -67.64 -56.91 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.931 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.62 -54.0 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.796 ' HA ' HD11 ' A' ' 47' ' ' LEU . 52.1 m -44.96 -62.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.2 -42.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -62.52 -72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -45.08 -64.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 1.061 ' HA ' HG23 ' A' ' 58' ' ' VAL . 1.3 p -37.25 -55.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.98 -22.21 3.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -44.09 -50.64 8.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD21 ' HZ2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -74.22 -48.86 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 1.017 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.53 99.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 11.84 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.485 ' CB ' ' CB ' ' A' ' 91' ' ' SER . 4.0 mt-30 -114.05 1.33 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.017 HG12 ' HB2' ' A' ' 52' ' ' ASN . 5.2 p -147.12 145.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.486 ' CG ' ' O ' ' A' ' 48' ' ' SER . 1.1 t30 -145.31 124.51 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 61' ' ' LEU . 44.1 mt -111.07 -30.44 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 1.061 HG23 ' HA ' ' A' ' 48' ' ' SER . 32.1 t -24.61 -66.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -46.88 -63.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' LEU . 84.8 m -52.16 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.781 HD23 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -39.0 -41.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -86.74 52.82 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 m -168.79 110.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.76 143.04 6.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.1 OUTLIER -58.96 117.84 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 5.6 m-30 -116.02 -174.02 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.975 HG23 ' HB ' ' A' ' 151' ' ' THR . 45.3 m -152.88 85.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.883 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.5 t -51.3 138.16 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.0 m-85 -127.07 64.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.883 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.47 130.23 32.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -135.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.931 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.01 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.577 HG21 HG21 ' A' ' 141' ' ' VAL . 30.3 p -57.73 172.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.536 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 2.1 m120 -58.06 -30.35 66.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.48 -20.98 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.28 -41.67 56.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.726 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 43.9 m-85 -78.82 -50.26 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -44.67 -25.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 76' ' ' PHE . 3.4 mtmp? -61.89 -58.15 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.418 ' HB3' HG21 ' A' ' 83' ' ' THR . 15.2 mt -55.08 152.23 14.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.86 36.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.86 53.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -47.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.418 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.17 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.908 HG22 ' HD2' ' A' ' 88' ' ' LYS . 42.1 mm -55.79 -55.9 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.95 -18.75 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' THR . 0.4 OUTLIER -86.21 -44.43 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.515 HD23 ' ND2' ' A' ' 90' ' ' ASN . 4.9 mt -63.23 -22.56 66.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.908 ' HD2' HG22 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -88.88 34.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.0 t -171.67 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.515 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.3 m-20 -43.0 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER 68.33 13.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -43.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -90.52 -27.74 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.737 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.27 -48.79 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 99' ' ' THR . 3.0 t -40.53 -45.73 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.9 -48.43 78.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.762 HG22 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -56.84 -57.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -50.35 -64.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.4 p -46.75 -43.33 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.65 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.2 t80 -68.53 -15.09 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.711 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 13.7 m-70 -95.19 19.15 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.622 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -156.09 115.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 117' ' ' GLN . 56.9 t -92.95 146.03 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.02 103.64 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.94 99.84 0.89 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.3 OUTLIER -57.73 156.43 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.604 HG21 HH22 ' A' ' 116' ' ' ARG . 54.7 m -152.58 -102.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.8 OUTLIER 162.54 162.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 54.07 3.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.47 -45.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.43 ' C ' ' N ' ' A' ' 113' ' ' VAL . 4.3 m-20 -99.8 -37.56 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.65 HG23 ' NH2' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -42.53 -28.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.43 ' N ' ' C ' ' A' ' 111' ' ' ASN . 17.9 t -50.09 156.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.87 -172.81 54.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 45.6 m -59.49 140.76 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.367 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.897 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -149.54 122.73 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.778 ' O ' HG13 ' A' ' 103' ' ' VAL . 30.1 tt0 -71.22 126.8 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.652 ' HA ' HG22 ' A' ' 103' ' ' VAL . 77.6 p -88.21 171.92 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.695 HD12 ' C ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -65.35 -26.27 67.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.3 tp60 -72.19 -6.58 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.14 -40.48 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -54.83 -173.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 p -125.13 148.31 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.897 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.7 p -119.19 128.39 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.3 m -83.43 97.45 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.867 HG13 ' CG2' ' A' ' 135' ' ' VAL . 3.0 t -92.28 150.43 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -149.54 173.99 13.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.673 ' HB2' HG21 ' A' ' 140' ' ' VAL . 4.2 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.1 OUTLIER -135.04 159.07 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.867 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.1 t -161.1 131.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 22.99 77.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.7 m120 44.24 54.54 6.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 135' ' ' VAL . . . -149.09 164.17 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 8.5 m-20 -115.22 117.68 31.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 133' ' ' LEU . 74.0 t -61.78 109.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.638 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -79.37 -53.99 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.0 t -151.54 105.78 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.54 165.35 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.53 23.02 57.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.755 HG13 HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -94.39 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 34.2 m -49.68 135.23 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.568 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 17.1 p -93.64 -116.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -96.0 -32.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -167.3 42.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -171.22 132.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.975 ' HB ' HG23 ' A' ' 67' ' ' THR . 52.8 m -73.6 168.37 19.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.555 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.3 t -137.86 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.691 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.4 m-85 -137.52 87.69 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.489 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -61.09 138.71 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.75 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.3 pp -136.37 165.68 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.467 ' O ' ' OG ' ' A' ' 157' ' ' SER . 22.7 p-10 -109.71 52.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.627 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 3.8 m -171.38 128.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 75' ' ' ALA . 69.0 t -73.91 78.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.711 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 2.5 mp -39.05 158.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.65 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.1 mtt -146.75 143.49 18.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.491 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 119.95 5.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -121.77 111.56 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.89 153.5 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.94 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.803 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.37 -48.95 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.41 -30.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -71.07 -69.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.47 -55.53 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' GLY . 57.2 t80 -43.33 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -44.82 -58.03 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.78 -28.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -92.11 -39.92 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.6 m-80 -125.4 74.19 68.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.59 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -125.74 -150.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.14 176.38 18.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -10.71 21.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.595 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -78.76 -34.83 45.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 p -40.91 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.813 HG13 HG13 ' A' ' 145' ' ' VAL . 11.6 t -57.41 -32.68 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -94.12 -28.28 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -63.9 -30.89 79.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.695 ' HG3' HG22 ' A' ' 147' ' ' THR . 8.2 ptp -83.35 -17.05 43.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.4 OUTLIER -62.82 -31.75 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.19 -14.76 58.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -94.11 142.2 24.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.0 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.796 HG11 ' O ' ' A' ' 61' ' ' LEU . 10.9 p 31.34 -120.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.768 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.7 -69.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 35' ' ' SER . 89.1 t -33.5 -61.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.62 -68.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -50.68 -46.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.594 ' CB ' HG21 ' A' ' 44' ' ' THR . 38.5 t -57.38 -16.39 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.53 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.5 m120 -129.38 17.98 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.588 ' O ' HG23 ' A' ' 41' ' ' THR . 3.1 m-20 -89.78 129.98 44.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 146.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.621 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.03 12.54 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.758 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.6 mt-10 -120.24 -19.34 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.027 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.87 -10.61 17.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.621 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 80.9 p -36.26 -36.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' LEU . 17.1 m -67.38 -55.28 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -55.28 -47.91 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.594 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -49.91 -59.22 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.27 -37.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.752 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.21 -69.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.753 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.52 ' HA ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -37.69 -56.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.04 -20.5 4.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -42.46 -37.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -74.05 -58.86 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.867 ' HB3' HG13 ' A' ' 55' ' ' VAL . 1.3 t30 -123.07 132.24 24.29 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.76 21.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' N ' ' CD ' ' A' ' 54' ' ' GLN . 2.0 mp0 -98.01 -7.12 30.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.896 HG11 HD23 ' A' ' 94' ' ' LEU . 3.3 m -106.99 135.1 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.848 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -166.93 96.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.913 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -103.69 -43.48 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.749 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -19.74 -78.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.749 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -32.07 -57.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.606 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -58.86 -50.04 75.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.796 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.09 -27.58 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.86 47.6 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -165.83 109.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.13 143.9 14.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.6 mt-30 -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -111.2 -169.79 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.969 HG23 ' HB ' ' A' ' 151' ' ' THR . 95.6 m -153.73 90.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 70' ' ' ALA . 3.9 t -51.9 144.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 10.7 m-85 -135.74 65.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.867 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -102.34 128.17 28.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -136.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.801 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.02 112.55 3.59 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 35.5 p -62.61 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -76.62 -30.83 57.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.79 21.23 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.81 -38.46 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.801 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 46.0 m-85 -88.54 -27.58 21.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.31 -10.02 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -29.71 61.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt -88.22 157.13 51.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.9 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 18.0 p -50.82 -36.99 40.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -48.66 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.751 HG22 ' HE3' ' A' ' 88' ' ' LYS . 33.0 mm -60.94 -68.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ILE . 11.3 t70 -38.21 -31.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.649 ' O ' HG22 ' A' ' 89' ' ' THR . 0.9 OUTLIER -72.32 -48.1 44.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.583 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.5 mt -49.16 -33.07 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.751 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.2 28.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 86' ' ' GLU . 12.4 t -172.09 30.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.695 ' ND2' HD23 ' A' ' 93' ' ' LEU . 75.7 m-20 -119.38 -69.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.511 ' HB3' ' ND2' ' A' ' 52' ' ' ASN . 1.4 p 70.56 8.42 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -44.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.695 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -87.58 -28.39 21.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.896 HD23 HG11 ' A' ' 55' ' ' VAL . 2.4 tp -74.31 -53.9 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.458 HG23 HD21 ' A' ' 57' ' ' LEU . 29.9 m -53.9 -39.59 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.573 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.6 -40.36 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 101' ' ' HIS . 2.1 mt -64.17 -62.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -40.88 -59.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 1.056 HG22 HD11 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -45.85 -52.34 11.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.854 ' CE1' HG13 ' A' ' 124' ' ' VAL . 2.0 t80 -57.92 -20.53 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.661 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 88.6 m-70 -89.88 24.28 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.845 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.1 t -154.08 136.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 117' ' ' GLN . 61.0 t -125.74 133.43 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.02 110.42 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.31 79.33 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -44.04 130.08 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.333 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.1 m -150.59 126.52 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.5 p -55.42 167.38 0.74 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.07 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -135.47 -44.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 6.3 m120 -99.07 -17.91 18.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.492 HG13 HG11 ' A' ' 126' ' ' VAL . 1.5 p -66.74 -9.98 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 110' ' ' ALA . 11.4 p -75.07 154.69 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.84 -163.36 26.95 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 m -78.21 106.47 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.525 ' CB ' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -104.05 -175.05 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.901 ' O ' HG13 ' A' ' 103' ' ' VAL . 36.3 tt0 -135.57 133.99 38.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.745 HG21 ' CD1' ' A' ' 100' ' ' TYR . 16.8 p -105.08 152.36 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 99' ' ' THR . 0.7 OUTLIER -47.5 -25.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.51 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -60.44 -51.26 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.79 -22.13 3.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 159.04 23.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 p -85.67 157.72 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.854 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -122.75 104.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.6 m -70.01 81.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.068 HG22 HG22 ' A' ' 135' ' ' VAL . 21.1 t -79.35 150.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.496 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -155.11 169.87 23.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 6.3 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -136.69 165.5 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.068 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -160.17 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.92 -80.68 1.67 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -150.22 20.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -125.04 173.39 8.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -116.8 125.53 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 97.0 t -59.72 117.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.803 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -83.19 -37.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 43.0 t -170.75 105.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.69 164.73 12.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.74 66.33 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.813 HG13 HG13 ' A' ' 22' ' ' VAL . 1.1 t -86.59 54.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 49.6 m -40.41 117.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.695 HG22 ' HG3' ' A' ' 25' ' ' MET . 21.1 p -84.03 -101.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -104.2 -76.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.5 p30 -124.2 42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.11 136.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.969 ' HB ' HG23 ' A' ' 67' ' ' THR . 97.6 m -69.88 171.27 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -134.52 128.01 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 82.3 m-85 -137.0 88.31 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.542 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 12.2 mtm -65.19 152.81 42.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.665 ' CA ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -144.98 -177.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.96 27.94 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.85 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -159.24 145.0 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.9 OUTLIER -77.21 21.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.963 HD21 ' CG1' ' A' ' 135' ' ' VAL . 0.1 OUTLIER 46.41 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.61 ' N ' ' O ' ' A' ' 158' ' ' VAL . 1.5 mtm 88.42 139.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.573 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 160' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.465 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.2 mm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.451 HG23 HD22 ' A' ' 133' ' ' LEU . 2.8 m -125.8 118.83 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.45 148.8 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -171.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.782 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.58 -40.42 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -39.43 -31.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.01 -69.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.68 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 5.9 mt-10 -46.36 -53.08 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 58.5 t80 -44.07 -63.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.16 -47.96 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -41.97 -39.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.12 -44.06 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -124.79 81.08 61.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.09 7.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -131.06 -171.21 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.94 -178.4 32.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.26 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -84.46 -29.01 26.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 34.9 p -39.44 156.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.684 ' HB ' HG13 ' A' ' 145' ' ' VAL . 4.4 m -69.04 -9.26 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -113.04 -25.79 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.75 -42.2 32.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.795 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.0 ptp -59.79 -13.47 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -65.21 -38.67 91.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -69.71 -6.76 33.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.51 ' CG ' HG12 ' A' ' 32' ' ' VAL . 75.7 m-20 -103.84 142.33 24.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.96 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.708 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.3 p 35.34 -124.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.708 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -6.92 -70.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.58 -63.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.795 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.13 -67.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.702 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -49.67 -47.77 49.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.594 ' O ' HG22 ' A' ' 41' ' ' THR . 5.5 t -41.96 -32.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 10.5 m120 -135.48 35.56 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.727 ' O ' HG23 ' A' ' 41' ' ' THR . 0.8 OUTLIER -84.88 131.51 48.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 127.262 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 10.23 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.434 1.755 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.799 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -119.83 -16.53 8.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.035 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.84 -15.1 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -38.83 -34.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.9 m -70.1 -51.95 27.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.868 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -55.48 -49.28 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.656 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -50.37 -60.3 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.52 -37.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.04 -72.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -45.28 -61.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.555 ' HA ' HG12 ' A' ' 58' ' ' VAL . 3.9 t -44.33 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.0 -20.49 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.519 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 10.8 mt-30 -41.65 -25.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -90.58 -53.02 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.832 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -125.55 129.15 24.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 4.19 4.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -118.02 5.05 12.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.832 HG13 ' HB3' ' A' ' 52' ' ' ASN . 4.1 m -118.9 132.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.5 p30 -155.36 92.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 60' ' ' THR . 2.5 mm? -97.28 -38.59 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 59' ' ' ASP . 7.6 p -40.21 -58.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.574 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.5 m-20 -49.78 -32.72 14.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -82.55 -65.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.593 HD22 HG21 ' A' ' 102' ' ' VAL . 3.4 mt -32.18 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' THR . 1.2 m-20 -81.53 51.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.9 m -124.64 -89.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.58 172.81 25.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.8 mt-30 -63.02 110.01 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 15.5 m-30 -115.36 -168.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.977 HG23 ' HB ' ' A' ' 151' ' ' THR . 25.9 m -148.51 86.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 70' ' ' ALA . 74.4 t -49.93 136.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 103' ' ' VAL . 9.3 m-85 -129.34 67.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.766 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.91 126.39 35.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -138.65 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.868 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.559 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 40.8 p -53.93 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.427 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' GLU . 2.7 m-20 -79.02 -27.88 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.72 62.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -84.52 -75.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -42.51 -29.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.6 t -59.43 -51.14 71.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -43.96 -57.24 3.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.73 HD11 ' HB ' ' A' ' 158' ' ' VAL . 26.9 mt -51.7 145.73 15.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.93 156.46 43.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.88 64.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.5 -56.45 5.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -46.58 65.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.4 -45.75 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.92 -22.16 64.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.36 -44.07 18.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.617 ' O ' HD22 ' A' ' 94' ' ' LEU . 6.3 mt -58.76 -18.95 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.513 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 7.3 mttt -92.73 27.7 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -173.4 33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' OG ' ' A' ' 91' ' ' SER . 92.2 m-20 -117.89 -70.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 63.09 10.67 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.82 -43.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -92.4 -24.68 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.819 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 52.8 m -53.16 -39.57 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -58.44 -37.57 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.626 HG23 ' HD2' ' A' ' 101' ' ' HIS . 3.0 mt -67.78 -51.67 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 94' ' ' LEU . 1.4 mt -51.32 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 2.3 p -50.47 -43.25 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 160' ' ' MET . 42.9 t80 -69.98 -10.05 57.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 10.8 m-70 -99.45 16.67 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.637 HG22 HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -154.93 116.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 117' ' ' GLN . 89.5 t -92.71 151.71 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.58 33.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 112.28 90.0 1.88 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -41.43 141.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.2 m -159.18 129.28 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -66.91 167.14 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.439 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 49.2 2.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.72 -46.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -96.48 -25.48 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.501 HG13 HG11 ' A' ' 126' ' ' VAL . 1.3 p -54.69 -24.01 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.86 129.97 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.72 -162.52 12.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.421 HG23 ' HB3' ' A' ' 123' ' ' SER . 18.7 m -75.84 112.11 11.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.415 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.931 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.3 mmm180 -118.25 113.66 21.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.598 ' O ' HG13 ' A' ' 103' ' ' VAL . 16.4 tt0 -67.84 115.77 7.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.491 HG22 HG22 ' A' ' 103' ' ' VAL . 60.4 p -76.05 147.04 38.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.637 HD23 HG22 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.49 -30.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 118' ' ' THR . 0.5 OUTLIER -58.41 -57.81 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.37 -25.67 1.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -74.3 -173.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.421 ' HB3' HG23 ' A' ' 115' ' ' THR . 0.7 OUTLIER -121.74 139.73 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.931 HG12 ' O ' ' A' ' 116' ' ' ARG . 6.2 p -115.02 111.41 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -76.55 100.49 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.702 HG13 HG22 ' A' ' 135' ' ' VAL . 5.3 t -91.94 149.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.454 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -151.53 -176.95 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.549 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 9.5 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.86 161.34 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.702 HG22 HG13 ' A' ' 126' ' ' VAL . 2.3 t -150.58 111.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 60.87 -78.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -149.65 21.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.681 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -118.36 175.53 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -116.97 117.03 28.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.549 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 79.0 t -57.15 104.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.782 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -71.52 -44.66 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.8 t -164.58 106.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.34 167.13 12.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.46 24.4 58.92 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.684 HG13 ' HB ' ' A' ' 22' ' ' VAL . 3.0 t -99.2 56.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 16.1 m -40.92 116.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.593 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.2 p -78.94 -95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -115.18 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -121.23 42.75 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.535 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . 179.95 141.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.977 ' HB ' HG23 ' A' ' 67' ' ' THR . 46.8 m -72.98 173.42 9.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.487 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -135.72 126.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.578 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 76.2 m-85 -136.97 82.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.559 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.6 mtm -60.65 144.29 52.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.681 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.5 OUTLIER -133.15 175.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -117.11 39.8 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 16.8 m -167.37 141.06 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.73 ' HB ' HD11 ' A' ' 79' ' ' LEU . 94.0 t -77.64 74.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -35.87 153.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.699 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 14.3 mtt -145.14 148.83 39.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.449 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 122.54 7.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.663 ' CD1' HG11 ' A' ' 22' ' ' VAL . 1.7 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 143' ' ' GLY . 14.1 p -135.54 166.32 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 87.8 157.32 31.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 176.29 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.98 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.526 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.45 -34.2 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.4 OUTLIER -43.6 -54.91 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -55.65 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -37.74 -47.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 81.4 t80 -57.16 -55.19 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.92 -42.97 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -57.22 -35.22 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.91 -44.7 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.622 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 61.5 m-80 -124.35 74.17 60.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -60.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' GLY . 8.8 p -116.42 -11.89 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.81 -177.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.03 8.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.744 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -90.93 37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -108.23 176.81 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.043 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.663 HG11 ' CD1' ' A' ' 3' ' ' LEU . 3.2 m -67.04 -32.94 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.86 -41.85 12.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.1 -17.77 11.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.7 ' CG ' HG22 ' A' ' 147' ' ' THR . 22.4 ptp -105.5 -9.44 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 147' ' ' THR . 20.0 m -76.56 -26.39 55.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -86.37 -8.0 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 2.0 m-20 -116.13 163.84 20.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 138.45 22.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.683 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m -21.42 -52.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -46.25 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 32' ' ' VAL . 11.9 t -42.09 -39.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.736 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -42.36 -35.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.92 -33.61 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 8.7 t -54.02 -22.32 10.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 35.8 m-80 -78.63 -44.78 23.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.846 ' O ' HG23 ' A' ' 41' ' ' THR . 31.4 t-20 -61.63 132.24 93.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -170.612 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.01 5.54 3.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 2.6 mm-40 -124.3 -1.19 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.55 HD21 ' SD ' ' A' ' 154' ' ' MET . 27.9 mt -116.14 -29.28 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.8 p -38.51 -33.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.51 -53.78 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -62.45 -52.76 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.717 ' HA ' HD11 ' A' ' 47' ' ' LEU . 57.4 m -47.57 -55.56 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -43.56 -38.49 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.66 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.917 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -44.81 -61.7 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.867 ' HA ' HG23 ' A' ' 58' ' ' VAL . 56.9 p -43.61 -50.35 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 134.97 -23.59 3.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.557 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.5 mm-40 -36.84 -54.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HB3' ' ND2' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -65.68 -57.06 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.618 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -110.52 118.29 49.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 4.23 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -112.91 6.6 17.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG21 HD21 ' A' ' 94' ' ' LEU . 37.9 t -124.93 158.4 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -174.42 93.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -107.64 13.41 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.867 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.1 t -69.75 -35.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.38 -47.94 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 62' ' ' ASN . 18.0 m -65.46 -64.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.711 HD12 HD13 ' A' ' 47' ' ' LEU . 4.1 mt -39.93 -29.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 60' ' ' THR . 27.3 t30 -99.48 57.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.44 107.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.14 139.65 10.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.0 mt-30 -57.57 107.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 10.0 m-30 -112.76 -176.45 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.972 HG23 ' HB ' ' A' ' 151' ' ' THR . 24.1 m -150.86 84.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.856 HG12 ' HB2' ' A' ' 70' ' ' ALA . 12.1 t -50.57 134.15 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.675 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.4 m-85 -123.0 65.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.856 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.77 129.95 34.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -137.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.95 110.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.598 HG22 ' SD ' ' A' ' 154' ' ' MET . 27.6 p -54.45 177.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -69.02 -13.86 62.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.09 -22.2 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.07 -43.49 52.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.69 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.6 m-85 -73.1 -30.25 63.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.2 t -66.04 -30.91 71.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -57.77 -59.25 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 158' ' ' VAL . 43.3 mt -54.33 152.11 12.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.7 42.99 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -53.76 -54.1 42.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.0 m -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -51.59 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.48 -46.61 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -16.94 44.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 89' ' ' THR . 1.4 tp10 -87.7 -39.43 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.728 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.6 mt -66.93 -14.11 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -91.39 30.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.4 t -167.48 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.527 ' ND2' HD23 ' A' ' 87' ' ' LEU . 89.4 m-20 -40.18 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.417 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 23.0 t 66.69 9.82 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -136.02 -44.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -87.05 -24.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.755 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.45 -39.42 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -53.1 -45.59 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.584 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.8 OUTLIER -52.51 -37.0 56.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 98' ' ' LEU . 2.3 mt -68.71 -63.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.755 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.43 -54.86 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.529 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.9 p -50.72 -50.18 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.742 ' CE1' HG13 ' A' ' 124' ' ' VAL . 3.0 t80 -62.61 -12.14 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.665 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 33.9 m-70 -96.69 24.2 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -159.23 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 118' ' ' THR . 25.4 t -107.47 138.31 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.38 107.15 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 163.35 -41.9 0.33 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.483 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.3 OUTLIER 75.69 121.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 21.9 m -159.71 128.33 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 1.7 p -61.51 169.67 2.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.416 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.03 46.1 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.779 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.34 -43.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 3.8 m120 -102.15 -19.8 14.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.712 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -53.04 -21.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.694 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.1 p -68.91 142.64 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.04 -170.8 17.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.7 m -70.15 98.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.408 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.682 ' NH2' HG21 ' A' ' 67' ' ' THR . 0.0 OUTLIER -92.49 170.52 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.803 ' O ' HG13 ' A' ' 103' ' ' VAL . 37.2 tt0 -125.22 120.64 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.949 ' HA ' HG22 ' A' ' 103' ' ' VAL . 2.5 p -87.09 148.47 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.029 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -54.59 -24.21 20.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 1.029 ' N ' HD23 ' A' ' 119' ' ' LEU . 14.4 tm0? -63.99 -42.62 97.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 136.1 -39.42 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.597 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -64.53 170.82 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -100.17 155.54 17.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.84 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.5 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -76.09 91.25 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.102 HG22 HG22 ' A' ' 135' ' ' VAL . 12.0 t -90.7 147.04 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.694 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -152.83 166.2 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 127' ' ' THR . 8.0 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.73 154.42 47.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.102 HG22 HG22 ' A' ' 126' ' ' VAL . 1.1 t -144.58 120.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.95 -82.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.3 OUTLIER -150.8 24.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -121.78 171.73 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.71 119.08 36.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 94.6 t -60.66 105.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.526 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.8 t -75.47 -57.07 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.6 t -146.67 105.81 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.543 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.88 169.49 12.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.81 75.49 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.2 t -85.17 64.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -50.86 124.29 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.736 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.2 p -93.53 -106.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -103.9 -73.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -122.73 40.73 3.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.653 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -176.33 159.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.972 ' HB ' HG23 ' A' ' 67' ' ' THR . 24.7 m -96.74 -179.4 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.657 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -144.02 129.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.543 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 80.8 m-85 -137.55 87.05 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.598 ' SD ' HG22 ' A' ' 72' ' ' THR . 3.1 mtm -60.78 138.39 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.73 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -134.47 169.68 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.492 ' O ' ' OG ' ' A' ' 157' ' ' SER . 30.2 p-10 -113.92 52.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.9 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.8 m -172.56 129.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 75' ' ' ALA . 70.9 t -75.1 77.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.604 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.2 mp -38.06 151.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.508 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 10.8 mtt -143.88 146.5 34.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.584 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.95 122.54 7.29 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.597 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD11 HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 5' ' ' GLY . 7.4 p -136.86 168.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.516 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.26 151.79 11.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -175.329 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -64.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.38 -39.04 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.23 -34.14 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -72.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -53.09 -55.92 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.8 t80 -36.87 -64.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.82 -50.51 14.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -51.32 -39.95 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.59 -45.84 28.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -124.21 76.68 60.49 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.05 -30.77 6.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -129.68 178.02 6.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 -178.76 31.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -12.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -86.61 2.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.0 p -81.98 165.59 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.583 ' HB ' HG13 ' A' ' 145' ' ' VAL . 24.9 m -69.33 -29.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' SER . 8.4 tt0 -87.42 -57.51 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.93 -62.6 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.837 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.8 ptp -49.04 -28.19 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.4 t -60.15 -15.86 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -92.63 12.5 22.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.546 ' CG ' HG12 ' A' ' 32' ' ' VAL . 68.1 m-20 -129.86 151.63 78.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.855 HG11 ' O ' ' A' ' 61' ' ' LEU . 11.0 p 28.16 -118.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.845 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -7.45 -71.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 35' ' ' SER . 57.5 t -36.47 -61.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.837 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.17 -67.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.702 ' OG ' HG21 ' A' ' 44' ' ' THR . 3.5 t -77.85 47.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -160.71 -43.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' THR . 3.2 t-20 -44.98 126.27 5.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 164.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 72' ' ' THR . 2.1 mt-10 -122.14 -4.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.774 HD22 ' HB1' ' A' ' 70' ' ' ALA . 25.6 mt -113.07 -25.76 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -47.87 -41.34 23.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.533 HG23 ' CD2' ' A' ' 76' ' ' PHE . 2.5 t -61.11 -29.3 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.925 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -85.44 -43.37 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.702 HG21 ' OG ' ' A' ' 35' ' ' SER . 1.0 OUTLIER -48.77 -59.25 3.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.82 -36.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.01 -69.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.843 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -50.57 -61.74 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.701 ' HA ' HG23 ' A' ' 58' ' ' VAL . 4.1 p -41.45 -65.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 149.04 -21.86 1.25 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 28.2 mt-30 -36.63 -40.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -70.53 -50.31 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.4 t30 -136.34 130.63 18.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 6.76 3.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.82 4.91 20.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 94' ' ' LEU . 50.9 t -125.51 142.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 48' ' ' SER . 5.4 p30 -165.79 107.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' ASP . 8.0 mp -110.68 -27.25 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' A' ' 48' ' ' SER . 41.4 t -37.16 -31.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 57' ' ' LEU . 1.5 t70 -75.86 -54.65 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.4 m -60.98 -54.4 45.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.855 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -49.97 -35.05 22.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 31' ' ' ALA . 7.2 m-20 -90.08 54.43 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 109.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.45 137.58 5.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.7 mt-30 -53.92 109.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.0 m-30 -113.24 -170.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.997 HG23 ' HB ' ' A' ' 151' ' ' THR . 71.5 m -154.84 88.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 152' ' ' VAL . 6.4 t -51.64 145.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 9.1 m-85 -135.95 69.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.774 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -97.47 127.55 37.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -141.446 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.925 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.02 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.578 HG21 HG21 ' A' ' 141' ' ' VAL . 14.7 p -53.02 -179.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -70.21 -29.65 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.27 14.76 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -103.76 -30.62 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.7 m-85 -89.38 -37.95 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -60.06 -13.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.31 -25.03 65.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.59 HD11 ' CG2' ' A' ' 158' ' ' VAL . 24.7 mt -92.99 156.63 40.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.85 31.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.8 p -54.37 -56.16 21.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.485 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -50.98 -47.26 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.844 HG22 ' HE3' ' A' ' 88' ' ' LYS . 34.9 mm -60.48 -69.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -37.96 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 1.004 ' O ' HG22 ' A' ' 89' ' ' THR . 1.6 tp10 -71.63 -48.77 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.2 mt -48.15 -33.93 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.844 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.03 39.44 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 89' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.0 t -167.48 -31.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.523 ' CG ' HD23 ' A' ' 93' ' ' LEU . 57.2 m-20 -63.05 -71.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.527 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.2 p 86.04 -39.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -93.62 -55.11 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -60.96 -30.64 70.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.998 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -77.31 -47.12 20.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' OG1' ' A' ' 99' ' ' THR . 2.8 m -54.3 -44.04 71.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.4 OUTLIER -51.42 -41.56 60.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.505 HG22 HD23 ' A' ' 98' ' ' LEU . 1.9 mt -65.12 -56.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.998 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.74 -61.23 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.45 ' HB ' ' N ' ' A' ' 120' ' ' GLN . 0.9 OUTLIER -44.35 -49.4 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.747 ' CE1' HG13 ' A' ' 124' ' ' VAL . 1.0 OUTLIER -57.3 -28.3 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.731 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.3 m-70 -83.64 22.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 101' ' ' HIS . 1.9 t -154.56 141.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.863 HG22 ' HA ' ' A' ' 118' ' ' THR . 4.0 t -123.81 150.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -98.07 109.85 22.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 119.94 85.95 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -35.3 132.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.8 m -141.39 133.85 28.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -71.96 164.02 62.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.04 1.62 7.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.06 -15.16 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 113' ' ' VAL . 68.7 m-80 -118.9 -38.74 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 109' ' ' PRO . 4.5 p -41.84 -28.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.478 ' HA ' HG12 ' A' ' 126' ' ' VAL . 73.7 t -56.45 136.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.07 -176.81 20.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 123' ' ' SER . 23.0 m -74.82 122.1 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.682 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -122.84 169.02 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -111.83 116.89 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.868 HG23 HG22 ' A' ' 124' ' ' VAL . 19.3 p -84.32 175.26 9.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 30.8 mt -61.0 -46.73 89.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.45 ' N ' ' HB ' ' A' ' 99' ' ' THR . 21.7 tp60 -58.38 -17.21 18.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . 105.98 -53.18 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.482 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -38.61 149.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 19.5 p -82.77 158.99 22.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.868 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.97 105.49 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.7 m -71.45 80.59 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.054 HG22 HG22 ' A' ' 135' ' ' VAL . 21.0 t -80.72 144.78 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -155.47 179.5 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.493 ' HB3' HG21 ' A' ' 140' ' ' VAL . 10.9 mp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 135' ' ' VAL . 5.3 mtpt -137.04 160.81 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.054 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -157.99 122.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.05 40.23 12.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 19.6 t30 87.95 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.75 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -59.95 176.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 3.0 m-20 -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 133' ' ' LEU . 79.0 t -59.17 111.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.578 HG21 HG21 ' A' ' 72' ' ' THR . 2.6 t -82.07 -52.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 24.2 t -154.53 105.58 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.46 172.19 14.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 15.96 79.96 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.583 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.4 t -84.98 57.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.1 m -48.29 115.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 33' ' ' ALA . 1.1 p -79.53 -97.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.12 -71.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -126.12 43.63 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -178.04 137.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.997 ' HB ' HG23 ' A' ' 67' ' ' THR . 55.3 m -75.98 174.41 10.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.63 HG22 ' HB ' ' A' ' 68' ' ' VAL . 2.4 t -141.23 129.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.657 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 84.8 m-85 -136.41 95.75 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.672 ' HG2' HD21 ' A' ' 40' ' ' LEU . 1.6 mtp -67.13 143.14 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.75 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -132.63 -175.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 2.0 p-10 -120.1 37.52 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -172.16 132.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 158' ' ' VAL . 4.1 m -73.72 67.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.805 HD11 ' CG1' ' A' ' 135' ' ' VAL . 57.6 mt -21.29 131.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.442 ' O ' ' HE2' ' A' ' 100' ' ' TYR . 8.2 mtt -122.77 143.18 39.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 125.26 9.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.2 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 4.3 p -138.36 152.82 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.14 152.96 27.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -165.562 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.94 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.763 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.805 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.13 -48.55 6.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -40.88 -30.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -69.03 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.37 -53.71 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 42.6 t80 -35.87 -64.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.44 -53.51 6.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -47.0 -33.25 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -83.76 -41.19 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.36 77.4 60.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -139.22 167.49 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.7 -160.42 13.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.2 Cg_endo -75.01 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.855 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -71.22 60.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' PRO . 81.5 p -142.54 173.56 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.052 HG22 HG13 ' A' ' 145' ' ' VAL . 56.4 t -65.45 -53.34 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -74.48 -32.89 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.676 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.9 ptp -77.64 -7.83 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -79.69 -28.51 40.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.944 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -78.46 -2.51 38.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 1.3 m-20 -130.3 167.77 19.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 158.55 42.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.607 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 4.1 p -38.09 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -62.03 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 31' ' ' ALA . 29.0 t -32.27 -43.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -40.2 -68.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.75 88.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.621 ' HA ' HG21 ' A' ' 44' ' ' THR . 4.1 m -46.45 -27.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -67.58 -44.8 77.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.911 ' O ' HG23 ' A' ' 41' ' ' THR . 16.9 t-20 -71.59 137.83 83.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -155.197 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.855 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 1.79 7.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.1 mm-40 -122.57 -3.2 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 154' ' ' MET . 12.6 mt -118.5 -24.37 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -40.6 -35.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.614 HG23 ' CE2' ' A' ' 76' ' ' PHE . 7.4 t -69.75 -48.9 57.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.913 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.45 -55.49 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.666 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.4 m -47.58 -52.08 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -46.04 -36.82 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.22 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.913 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.47 -62.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 48' ' ' SER . . . . . 1.079 ' HA ' HG23 ' A' ' 58' ' ' VAL . 65.1 p -45.02 -54.33 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 135.68 -20.72 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.516 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.7 mt-30 -37.7 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.41 -52.16 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 t30 -128.62 125.5 23.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 3.25 5.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.38 -0.76 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -131.6 127.05 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' SER . 9.3 p30 -143.32 118.79 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -126.94 10.35 6.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 1.079 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.2 t -53.29 -46.28 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.33 -45.83 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.7 m -55.17 -16.72 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -91.51 -48.01 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.554 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 23.3 p-10 -79.2 46.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -88.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.63 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -124.64 -172.37 13.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -46.21 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 4.3 m-30 -114.54 -178.65 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.752 HG23 ' HB ' ' A' ' 151' ' ' THR . 17.4 m -155.69 88.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 70' ' ' ALA . 3.4 t -52.0 141.76 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 11.4 m-85 -131.23 70.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -104.14 131.15 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -136.066 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.906 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.95 125.99 9.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 155' ' ' ILE . 22.7 p -69.04 174.11 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.73 -13.75 55.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.26 -19.6 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.94 -36.47 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.778 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 34.6 m-85 -78.32 -21.95 48.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -20.26 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.79 -60.69 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HB3' HG21 ' A' ' 83' ' ' THR . 21.1 mt -54.32 152.76 10.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.1 144.48 29.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.32 -52.06 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -50.04 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.71 -48.97 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.08 -57.01 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.98 -24.05 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -80.57 -43.58 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -56.06 -17.83 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' HG2' HD23 ' A' ' 51' ' ' LEU . 9.5 mttt -91.63 11.32 24.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.4 t -145.23 12.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 1.8 m-20 -118.57 165.52 13.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -153.7 22.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.77 -48.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.07 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -77.0 -27.69 54.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.913 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.65 -49.21 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.433 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.1 m -49.87 -51.95 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 4.3 m -45.23 -41.94 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.691 HG22 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -65.24 -57.0 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -49.04 -58.11 5.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.543 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.2 p -51.99 -45.93 64.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -64.73 -12.76 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.672 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 52.2 m-70 -95.2 22.75 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.458 HG13 HD22 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -159.26 128.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 118' ' ' THR . 2.9 t -103.91 161.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.87 99.74 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 161.99 -51.55 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.613 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.57 129.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 5.9 m -162.82 126.79 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -49.91 165.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 50.69 2.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.67 -45.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.491 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 2.4 m120 -98.07 -28.9 13.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.19 -22.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 127' ' ' THR . 1.3 p -66.11 165.92 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.25 -100.0 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.7 m -144.79 125.13 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.736 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.9 tpt180 -122.93 149.76 43.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.536 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 50.8 tt0 -94.04 116.21 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.834 ' HA ' HG22 ' A' ' 103' ' ' VAL . 52.4 p -76.37 153.38 35.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.971 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -60.19 -23.78 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.971 ' N ' HD23 ' A' ' 119' ' ' LEU . 13.6 tp60 -61.44 -34.68 75.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.98 -9.96 11.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -94.52 175.22 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.737 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 p -101.01 152.23 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 116' ' ' ARG . 2.5 p -128.74 101.15 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -66.53 100.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 135' ' ' VAL . 23.7 t -94.19 155.46 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.716 ' O ' HD23 ' A' ' 133' ' ' LEU . 1.4 p -154.07 -178.5 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 127' ' ' THR . 9.9 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -129.57 142.89 50.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.82 HG12 HD21 ' A' ' 159' ' ' LEU . 2.1 t -135.3 126.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.56 38.11 7.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.8 t30 89.4 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.732 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -60.74 179.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 40.5 m-20 -125.38 117.86 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -58.0 108.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.805 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.8 t -77.61 -50.89 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.83 105.07 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.34 163.54 12.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.23 18.23 57.78 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.052 HG13 HG22 ' A' ' 22' ' ' VAL . 1.2 t -91.23 69.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 11.4 m -58.44 130.75 48.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.535 HG22 ' CG ' ' A' ' 25' ' ' MET . 1.8 p -88.8 -104.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -110.61 -43.21 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -150.32 33.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -164.97 151.05 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.752 ' HB ' HG23 ' A' ' 67' ' ' THR . 33.1 m -92.97 170.33 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 145' ' ' VAL . 1.4 t -136.87 127.08 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.637 ' HE2' HG23 ' A' ' 67' ' ' THR . 91.1 m-85 -135.29 90.78 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 40' ' ' LEU . 5.1 mtm -63.62 145.97 54.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.703 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -135.51 -179.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 1.6 p-10 -117.15 36.84 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 47.1 m -164.59 150.14 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.962 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 158' ' ' VAL . 85.0 t -73.45 11.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.82 HD21 HG12 ' A' ' 135' ' ' VAL . 14.6 mt 51.67 -86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.703 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.7 mtp 82.54 137.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 129.08 12.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.607 HD22 HG11 ' A' ' 22' ' ' VAL . 3.0 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.538 HG11 ' CB ' ' A' ' 109' ' ' PRO . 7.6 p -131.12 167.14 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.532 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 92.93 157.92 33.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 165.652 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.911 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -50.04 -42.96 40.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.627 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -56.19 -18.98 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -82.46 -63.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 46.6 mt-10 -64.79 -53.31 48.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 46.3 t80 -38.97 -64.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.21 -49.99 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -48.58 -43.67 36.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -76.54 -50.38 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -119.74 82.96 27.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.78 4.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 p -135.64 -171.93 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.93 -178.01 34.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.16 8.93 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.552 ' O ' ' HE3' ' A' ' 25' ' ' MET . 61.2 p -87.18 164.1 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.132 HG12 HG13 ' A' ' 145' ' ' VAL . 19.0 m -61.57 -33.86 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.05 -47.3 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -48.51 -23.75 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.605 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 18.6 ptp -93.13 -25.23 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' GLN . 27.6 m -55.5 -21.75 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -91.32 25.89 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.643 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -140.18 152.97 68.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.93 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.795 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.6 p 27.03 -104.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.91 ' HB1' HG23 ' A' ' 58' ' ' VAL . . . -17.45 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.594 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 74.7 t -36.0 -58.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.09 -50.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -66.4 -40.77 89.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.683 ' HB3' HG21 ' A' ' 44' ' ' THR . 6.5 p -49.25 -22.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -81.2 -35.09 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t-20 -64.52 134.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -172.541 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.847 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 1.14 8.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.01 -2.77 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.85 HD22 ' HB1' ' A' ' 70' ' ' ALA . 26.8 mt -116.21 -31.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -36.3 -35.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m -68.16 -53.81 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.754 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -57.99 -56.91 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 35' ' ' SER . 40.2 m -47.16 -59.53 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -40.53 -39.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.17 -72.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.73 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -45.39 -60.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.536 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 10.7 p -43.21 -65.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.68 -23.13 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.562 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.1 mt-30 -38.62 -51.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -56.77 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -113.14 108.31 53.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 25.09 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 52' ' ' ASN . 7.6 mt-30 -130.31 5.77 4.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.01 155.87 41.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 6.4 p30 -163.41 102.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 57' ' ' LEU . 15.8 mt -119.11 -10.81 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.91 HG23 ' HB1' ' A' ' 31' ' ' ALA . 7.5 p -57.47 -59.78 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.596 ' H ' HG13 ' A' ' 58' ' ' VAL . 2.8 m-20 -48.79 -32.56 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.3 m -73.84 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.761 ' O ' HG11 ' A' ' 30' ' ' VAL . 6.0 mt -37.94 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.3 m-20 -84.85 51.47 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -176.42 106.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.45 138.75 10.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -58.82 104.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 11.5 m-30 -113.1 -173.27 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.966 HG23 ' HB ' ' A' ' 151' ' ' THR . 17.8 m -149.99 86.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.833 HG12 ' HB2' ' A' ' 70' ' ' ALA . 56.2 t -51.75 130.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.441 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 6.5 m-85 -119.94 69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.85 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -94.59 128.15 41.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -139.428 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.754 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.01 110.59 3.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 155' ' ' ILE . 47.6 p -51.52 170.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -67.62 -17.92 64.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 -20.56 27.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.8 -47.0 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 36.9 m-85 -65.18 -38.2 89.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 m -56.09 -36.85 68.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -54.16 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 83' ' ' THR . 6.1 mt -63.33 150.24 89.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.0 147.02 33.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.55 1.816 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 t -50.68 -48.5 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.623 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.9 -48.53 79.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.709 HG22 ' HD2' ' A' ' 88' ' ' LYS . 39.9 mm -62.41 -50.1 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -55.08 -19.79 8.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 4.5 tp10 -83.57 -45.55 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 87' ' ' LEU . 5.5 mt -64.89 -12.43 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.709 ' HD2' HG22 ' A' ' 84' ' ' ILE . 10.4 mtpt -92.93 30.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -164.78 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.471 ' ND2' HD23 ' A' ' 87' ' ' LEU . 19.9 m-20 -56.95 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 95' ' ' THR . 9.6 p 168.77 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.88 13.55 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -136.47 -46.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.089 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -67.45 -38.82 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 99' ' ' THR . 3.5 t -54.11 -42.68 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.429 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.75 -38.1 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.569 HG22 HD23 ' A' ' 98' ' ' LEU . 1.8 mt -69.3 -60.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.089 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -45.03 -62.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 102' ' ' VAL . 38.1 p -47.57 -50.69 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.5 t80 -61.62 -13.44 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.662 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.0 m-70 -96.29 23.41 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.596 HG13 HD23 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -160.91 118.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' A' ' 118' ' ' THR . 41.4 t -95.39 157.31 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.82 99.87 10.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.52 100.67 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 127.24 26.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.9 m -144.44 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 3.2 p -87.85 166.5 24.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.02 52.26 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.43 -47.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -102.57 -18.02 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.65 -20.31 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 127' ' ' THR . 66.5 t -70.38 137.54 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.91 -171.45 13.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -67.53 107.5 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.783 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -112.58 110.92 21.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.33 107.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.59 ' HA ' HG22 ' A' ' 103' ' ' VAL . 75.8 p -71.8 151.08 43.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -51.18 -28.56 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 120' ' ' GLN . 4.9 tp60 -56.69 -42.24 78.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 129.43 -11.69 6.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 -178.36 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.79 133.31 55.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 116' ' ' ARG . 14.6 p -107.48 106.05 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 125' ' ' THR . 4.4 m -67.08 75.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 124' ' ' VAL . 44.3 t -60.33 147.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.62 ' HA ' HG13 ' A' ' 113' ' ' VAL . 2.5 m -141.83 175.52 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.744 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.744 HD23 ' HA3' ' A' ' 128' ' ' GLY . 5.3 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -130.79 161.15 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 1.2 t -152.55 119.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.98 50.8 2.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 87.11 -45.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.619 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -48.84 171.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -119.91 119.35 33.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 72.3 t -63.58 120.98 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.911 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -91.51 -53.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.627 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 5.2 t -153.2 108.87 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.81 -179.21 19.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.31 71.49 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.132 HG13 HG12 ' A' ' 22' ' ' VAL . 1.6 t -84.11 53.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.2 m -43.04 130.63 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.586 HG22 ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -99.52 -96.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.47 -75.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -121.8 36.99 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.59 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -171.16 150.17 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.966 ' HB ' HG23 ' A' ' 67' ' ' THR . 94.0 m -89.01 176.52 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.562 ' H ' HG22 ' A' ' 151' ' ' THR . 1.1 t -139.24 131.5 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.506 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 75.3 m-85 -139.57 89.61 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.465 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.47 141.7 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.752 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -133.35 170.63 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.416 ' OD1' ' OD2' ' A' ' 139' ' ' ASP . 5.3 p-10 -111.99 41.02 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.99 139.89 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 158' ' ' VAL . 37.5 t -75.36 69.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.5 tp -31.28 129.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.693 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 30.0 mtt -126.76 150.59 71.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.429 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.02 139.4 24.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 1.6 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.486 HG11 ' CG ' ' A' ' 109' ' ' PRO . 2.1 p -119.32 144.39 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.39 146.79 18.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -164.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.2 Cg_endo -75.01 -66.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.737 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -35.87 -38.84 0.24 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -40.25 -30.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.93 -59.27 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.65 -43.99 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.698 ' CZ ' ' ND2' ' A' ' 37' ' ' ASN . 83.2 t80 -63.17 -65.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -43.74 -52.53 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.86 -27.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -93.55 -39.84 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' ALA . 5.2 m120 -125.78 73.2 69.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' C ' HG23 ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.01 -9.43 20.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.482 HG23 ' C ' ' A' ' 16' ' ' PRO . 60.3 p -154.17 -167.63 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 80.21 -161.31 45.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.93 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -70.29 61.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . 66.4 m -137.43 162.42 33.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 145' ' ' VAL . 17.4 t -53.78 -39.12 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.62 -35.54 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.04 -12.29 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.836 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 6.7 ptp -100.45 -11.46 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 29.4 t -65.06 -50.89 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.75 -18.1 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.42 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 48.7 m-20 -94.67 142.91 25.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.01 100.04 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.833 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.4 p 30.2 -122.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.74 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.64 -72.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' SER . 93.0 t -29.62 -60.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.836 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -33.14 -66.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.818 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -48.32 -44.02 33.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.944 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -57.51 -22.1 42.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' ALA . 12.0 m120 -92.05 -33.94 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.698 ' ND2' ' CZ ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -63.55 126.67 90.06 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.369 170.375 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.635 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 10.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.753 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.5 mt-10 -116.4 -18.26 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.066 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.82 -17.29 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -38.52 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 91.2 m -73.33 -53.04 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.815 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.62 -54.89 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.944 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -50.16 -53.67 26.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.368 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.99 -39.53 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.58 -72.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.815 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -44.33 -61.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.525 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 91.0 p -44.32 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 153.35 -19.45 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -50.27 -20.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.87 -44.74 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.741 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -109.81 98.06 31.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 14.33 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.4 mt-30 -128.33 6.65 5.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.944 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -125.9 -179.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 56' ' ' ASN . 2.0 p-10 169.77 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -94.28 -32.33 13.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 t -27.11 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 58' ' ' VAL . 11.5 t70 -40.45 -56.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 57' ' ' LEU . 51.9 m -58.24 -58.82 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.833 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.06 -34.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -98.34 57.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 m -124.24 -92.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.88 178.26 36.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -63.35 108.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.6 m-30 -113.98 -168.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.95 HG23 ' HB ' ' A' ' 151' ' ' THR . 87.8 m -152.51 88.21 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.917 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.3 t -50.71 141.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 8.3 m-85 -135.12 69.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.917 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -107.09 127.27 28.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -135.478 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.749 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.96 109.1 2.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.59 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 30.4 p -58.1 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 39' ' ' GLU . 2.6 m-20 -85.63 7.24 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.19 0.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB1' ' C ' ' A' ' 157' ' ' SER . . . -101.35 -49.24 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.749 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 66.3 m-85 -69.94 -24.36 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -18.24 62.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.89 -61.9 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.555 HD11 ' HB ' ' A' ' 158' ' ' VAL . 52.6 mt -47.82 151.84 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.28 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -50.6 -55.61 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.1 t -38.64 -56.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -48.54 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.606 HG22 ' CE ' ' A' ' 88' ' ' LYS . 27.5 mm -60.69 -54.83 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -20.34 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.26 -45.36 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.72 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.3 mt -57.92 -17.34 16.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.606 ' CE ' HG22 ' A' ' 84' ' ' ILE . 7.4 mtmt -88.73 7.74 32.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.6 t -164.32 45.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 91' ' ' SER . 93.7 m-20 -120.71 -93.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 3.0 t 89.31 -26.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 24.92 12.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.57 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.944 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.75 -50.6 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -45.11 -39.98 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.535 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.38 -46.11 80.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -61.93 -50.82 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 94' ' ' LEU . 2.0 mt -50.78 -62.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.761 HG22 ' CD2' ' A' ' 119' ' ' LEU . 15.1 p -50.03 -44.55 51.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 6.8 t80 -64.51 -14.66 58.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.694 ' HE2' ' C ' ' A' ' 158' ' ' VAL . 36.3 m-70 -92.82 15.98 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.5 OUTLIER -154.23 126.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 117' ' ' GLN . 44.5 t -105.28 144.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.14 107.8 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 121.54 110.63 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -66.61 137.19 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.7 m -157.21 134.18 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 p -65.78 165.59 19.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.486 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 52.03 2.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.82 -44.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -102.32 -28.97 11.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.541 HG13 HG11 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -48.81 -24.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.509 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.5 p -57.51 153.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.77 -165.83 53.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.2 m -61.63 135.41 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.769 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.7 tpm_? -149.74 123.47 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.853 ' O ' HG13 ' A' ' 103' ' ' VAL . 28.9 tt0 -58.11 137.92 56.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.694 ' HA ' HG22 ' A' ' 103' ' ' VAL . 22.4 p -110.69 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.761 ' CD2' HG22 ' A' ' 99' ' ' THR . 4.8 tt -61.7 -49.54 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 17.9 tp60 -48.51 -20.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 102.19 -10.11 56.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -81.61 -169.21 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.98 136.75 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.5 p -106.97 127.6 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 125' ' ' THR . 3.2 m -87.58 76.16 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.7 HG13 ' CG2' ' A' ' 135' ' ' VAL . 20.0 t -67.67 163.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.509 ' HA ' HG23 ' A' ' 113' ' ' VAL . 3.8 m -155.3 170.66 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.949 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.425 HD13 ' CG2' ' A' ' 4' ' ' VAL . 10.1 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 135' ' ' VAL . 1.4 mttt -132.15 156.28 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.7 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -155.33 125.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.79 39.03 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.5 t-20 89.74 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.893 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -55.03 177.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 9.5 m-20 -120.45 121.78 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.49 106.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.737 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.483 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 19.3 t -155.23 108.91 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.513 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 167.63 12.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 21.95 67.85 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 22' ' ' VAL . 11.3 t -93.68 53.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.8 m -40.16 116.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.773 HG22 ' HG3' ' A' ' 25' ' ' MET . 2.6 p -83.85 -103.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.71 -78.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -123.52 45.16 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.88 135.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.95 ' HB ' HG23 ' A' ' 67' ' ' THR . 65.5 m -68.06 172.66 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.51 ' N ' HG22 ' A' ' 151' ' ' THR . 1.8 t -135.31 126.93 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 78.7 m-85 -135.78 81.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.59 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 15.7 mtm -60.42 145.88 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.607 ' CA ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -135.9 -179.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -114.31 17.85 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.893 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 2.9 m -140.68 141.61 34.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.694 ' C ' ' HE2' ' A' ' 101' ' ' HIS . 98.8 t -74.76 14.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.633 ' O ' ' O ' ' A' ' 158' ' ' VAL . 64.3 mt 38.05 -169.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 173.19 139.93 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.535 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 142.97 28.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 22' ' ' VAL . 1.2 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.517 HG22 ' H ' ' A' ' 5' ' ' GLY . 3.9 p -114.76 172.58 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.38 156.07 21.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -66.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.609 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.01 -36.44 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -44.58 -28.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -75.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 2.6 tt0 -44.83 -51.39 9.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 61.0 t80 -38.27 -66.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.76 -55.68 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -41.73 -39.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.14 -46.85 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -127.12 80.07 72.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.02 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.7 p -121.86 147.44 45.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 -161.25 24.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -42.57 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -80.81 54.59 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -134.12 170.84 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.008 HG13 HG13 ' A' ' 145' ' ' VAL . 59.0 t -65.55 -36.97 78.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -86.01 -39.89 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.26 -41.57 54.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.635 ' CG ' HG22 ' A' ' 147' ' ' THR . 15.0 ptp -76.71 -20.51 56.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.9 OUTLIER -72.65 -12.11 60.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.34 17.48 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.744 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -152.0 169.48 9.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 137.8 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.669 ' CG1' ' HB3' ' A' ' 150' ' ' ALA . 2.0 m -20.93 -53.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' HG22 ' A' ' 30' ' ' VAL . . . -43.82 -88.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' HA ' ' CB ' ' A' ' 35' ' ' SER . 59.8 t -45.86 -35.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.699 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -49.17 -28.07 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -100.64 -24.87 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 10.3 t -63.62 -11.56 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -91.47 -42.74 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 41' ' ' THR . 0.5 OUTLIER -64.55 134.19 95.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -170.691 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.871 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.96 4.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -121.55 -4.71 9.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD22 ' HB1' ' A' ' 70' ' ' ALA . 29.0 mt -115.64 -32.57 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.07 -36.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -67.96 -53.78 23.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.92 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.23 -51.97 67.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.712 ' HA ' HD11 ' A' ' 47' ' ' LEU . 47.9 m -48.2 -49.82 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -48.34 -37.3 16.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.32 -70.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.91 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.34 -61.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.695 ' HA ' HG23 ' A' ' 58' ' ' VAL . 63.7 p -44.66 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.69 -22.12 0.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.543 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.5 mt-30 -38.57 -40.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -56.51 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.548 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -113.65 113.78 47.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 10.61 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -119.33 8.93 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.14 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 10.1 p-10 -169.53 102.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.713 HD21 HG22 ' A' ' 99' ' ' THR . 0.2 OUTLIER -110.18 -27.52 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.695 HG23 ' HA ' ' A' ' 48' ' ' SER . 20.3 t -31.76 -62.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.74 -54.87 3.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 16.3 m -62.84 -64.23 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.758 HD12 HD13 ' A' ' 47' ' ' LEU . 6.5 mt -32.89 -39.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 t30 -94.28 58.36 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.6 m -125.62 -92.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.11 171.55 24.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.9 OUTLIER -55.12 106.85 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 9.1 m-30 -111.69 -178.88 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.777 HG23 ' HB ' ' A' ' 151' ' ' THR . 11.8 m -145.61 86.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.835 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.0 t -53.36 132.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.458 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 7.4 m-85 -120.33 68.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.835 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.84 127.38 43.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -137.84 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.92 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.08 112.97 3.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 155' ' ' ILE . 39.6 p -52.07 169.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -65.8 -22.37 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -16.84 39.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -74.87 -45.27 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.725 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.7 m-85 -68.94 -40.0 79.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -51.25 -51.98 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.039 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 1.4 mtmm -38.67 -57.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.6 mt -47.29 149.4 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 138.55 23.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.2 -48.57 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 m -45.54 -47.46 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.59 -49.58 74.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.9 -57.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -49.54 -24.51 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 89' ' ' THR . 8.1 tp10 -77.98 -45.25 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -64.0 -10.96 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -91.53 28.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 86' ' ' GLU . 14.6 t -163.15 -35.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.506 ' ND2' HD23 ' A' ' 87' ' ' LEU . 2.4 m-20 -65.1 164.85 12.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.4 p -155.14 22.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.13 -47.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -78.64 -29.69 45.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.026 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.07 -43.35 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -51.1 -46.9 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -51.75 -41.59 61.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.656 HG22 HD23 ' A' ' 98' ' ' LEU . 1.9 mt -63.14 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.026 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -47.81 -59.08 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.713 HG22 HD21 ' A' ' 57' ' ' LEU . 18.4 p -52.75 -49.22 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 160' ' ' MET . 43.1 t80 -61.04 -16.88 48.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.655 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.9 m-70 -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -157.48 124.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 118' ' ' THR . 53.5 t -105.75 138.18 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.25 104.48 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 133.73 113.23 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.7 140.42 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 108' ' ' SER . 23.3 m -156.97 171.98 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -103.1 164.76 14.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.425 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.96 51.38 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.79 -46.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 113' ' ' VAL . 65.8 m-20 -99.57 -30.23 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.738 HG13 HG11 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -43.96 -28.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 126' ' ' VAL . 9.4 p -55.48 161.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.39 -170.36 52.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 47.3 m -66.1 131.95 47.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.354 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.836 ' CD ' HG11 ' A' ' 103' ' ' VAL . 5.3 tpp180 -138.76 117.72 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 103' ' ' VAL . 33.3 tt0 -68.73 115.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.866 ' HA ' HG22 ' A' ' 103' ' ' VAL . 30.7 p -73.7 164.47 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.02 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -65.1 -25.47 67.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 1.02 ' N ' HD23 ' A' ' 119' ' ' LEU . 28.8 tp60 -66.0 -21.83 66.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.78 6.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -69.58 -172.85 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -124.32 147.5 48.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.798 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.4 p -120.97 117.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.5 m -74.1 80.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.738 HG11 HG13 ' A' ' 112' ' ' VAL . 26.0 t -67.96 146.89 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 128' ' ' GLY . 4.7 m -141.43 176.28 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.758 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.758 HD23 ' HA3' ' A' ' 128' ' ' GLY . 10.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.501 ' CE ' ' OD1' ' A' ' 139' ' ' ASP . 32.2 mttt -136.63 159.08 42.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.702 ' CG2' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -154.08 121.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 36.09 53.31 1.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t30 86.57 -46.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -46.79 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.501 ' OD1' ' CE ' ' A' ' 134' ' ' LYS . 26.1 m-20 -123.55 110.4 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.626 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 54.6 t -55.67 110.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.711 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -80.77 -50.63 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.401 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 34.2 t -153.79 104.32 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.288 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.82 174.33 16.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 75.35 18.07 80.04 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.008 HG13 HG13 ' A' ' 22' ' ' VAL . 2.4 t -87.0 64.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.8 m -51.08 124.71 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.699 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.8 p -89.89 -108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -108.24 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -126.75 38.97 4.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.669 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -176.15 167.89 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.777 ' HB ' HG23 ' A' ' 67' ' ' THR . 33.1 m -104.11 179.92 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.676 ' H ' HG22 ' A' ' 151' ' ' THR . 0.9 OUTLIER -143.53 128.84 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.521 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 80.4 m-85 -137.62 86.91 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -59.51 145.14 45.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pt -138.22 170.8 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -112.06 46.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.62 143.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 158' ' ' VAL . 32.0 t -78.6 69.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.691 HD21 ' CG2' ' A' ' 124' ' ' VAL . 1.1 tp -32.03 129.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.694 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 12.0 mtt -123.24 148.47 55.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.424 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.1 127.4 10.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.7 m -130.95 136.74 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.66 155.88 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 177.535 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.571 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -47.19 -36.98 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -29.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -67.5 -75.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -52.94 -52.35 58.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -38.97 -54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.14 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -36.65 73.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' GLU . . . -79.69 -44.41 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -123.14 76.44 51.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -59.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 p -115.6 155.11 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 124.9 -166.62 17.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.65 10.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.849 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -89.23 42.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 78.2 p -119.17 172.87 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.861 HG22 HG13 ' A' ' 145' ' ' VAL . 61.3 t -68.02 -39.84 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.21 -36.68 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.97 -38.55 95.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.762 ' HG3' HG22 ' A' ' 147' ' ' THR . 15.2 ptp -77.78 -14.34 59.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 27' ' ' GLN . 3.6 p -61.98 -64.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.483 ' N ' ' OG ' ' A' ' 26' ' ' SER . 3.9 mt-30 -37.85 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 37.2 m-20 -85.43 142.34 37.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.1 Cg_endo -74.95 101.84 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.782 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.826 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 2.4 p 29.7 -104.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.754 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -19.85 -83.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 46.3 t -28.36 -54.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -41.67 -61.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -52.64 -26.38 13.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.589 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.04 44.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 35' ' ' SER . 26.7 m-80 -161.4 -40.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' THR . 2.3 m-20 -53.89 136.15 56.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 175.633 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.96 6.15 3.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.477 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.8 mm-40 -128.25 2.75 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.696 HD21 ' HG3' ' A' ' 154' ' ' MET . 43.6 mt -121.67 -32.93 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.2 p -35.5 -41.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -62.72 -54.46 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.936 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.33 -43.23 96.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.66 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -48.61 -60.9 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.17 -35.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.75 -72.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.766 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -44.4 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.484 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 2.8 p -41.55 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.22 -17.57 1.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -19.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.726 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -39.22 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.74 ' CB ' HG13 ' A' ' 55' ' ' VAL . 2.7 m120 -128.83 105.45 18.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -108.84 -2.92 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.028 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -117.74 176.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.2 p30 174.51 99.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD11 HG22 ' A' ' 99' ' ' THR . 4.1 mm? -98.25 -51.43 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.791 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -14.53 -79.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.791 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -36.93 -59.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 57' ' ' LEU . 36.0 m -51.89 -44.73 63.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -60.72 -32.69 71.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -87.35 32.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.7 m -90.27 -93.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.642 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.22 -175.28 15.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -47.02 106.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.231 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -114.96 -176.48 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.878 HG23 ' HB ' ' A' ' 151' ' ' THR . 13.5 m -156.14 90.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.862 HG12 ' HB2' ' A' ' 70' ' ' ALA . 6.3 t -53.73 139.55 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.6 m-85 -128.62 64.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.862 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.13 133.4 26.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -135.579 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.936 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.0 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 24.8 p -58.98 179.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -62.21 -28.02 69.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -15.69 50.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.763 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.44 -42.44 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.754 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 54.7 m-85 -79.88 -35.01 38.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -61.02 -32.56 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -51.97 -54.98 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.73 151.72 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 147.39 33.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.33 -54.99 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -39.02 -50.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.94 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.21 -51.72 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.402 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.3 mm -58.39 -56.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.36 -22.83 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 89' ' ' THR . 1.5 tp10 -81.26 -49.97 10.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.668 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.6 mt -51.91 -42.49 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' CE ' HG22 ' A' ' 84' ' ' ILE . 1.9 mtmp? -67.43 -3.08 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.1 t -132.04 11.37 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.527 ' ND2' HD23 ' A' ' 87' ' ' LEU . 38.4 m-20 -109.5 -160.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.6 t 169.74 -28.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.5 p -105.81 25.65 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -45.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.028 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -73.43 -52.61 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.2 m -39.28 -45.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.533 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.71 -45.42 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.607 HG22 HD23 ' A' ' 98' ' ' LEU . 1.5 mt -60.82 -58.02 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 97' ' ' ILE . 1.1 mt -47.42 -58.45 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.679 HG22 HD11 ' A' ' 57' ' ' LEU . 1.8 p -52.28 -46.46 65.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 160' ' ' MET . 10.4 t80 -62.67 -15.81 54.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.707 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 18.6 m-70 -92.25 20.7 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -155.07 130.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.811 HG22 ' HA ' ' A' ' 118' ' ' THR . 4.1 t -105.2 162.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -121.71 101.93 7.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 160.77 -48.05 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.642 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 79.59 127.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 6.0 m -162.08 125.28 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 p -50.18 166.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.437 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.5 Cg_endo -74.97 48.67 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.28 -44.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 21.9 m-20 -98.77 -27.54 13.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 126' ' ' VAL . 2.5 p -52.54 -20.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.549 HG23 ' HA ' ' A' ' 127' ' ' THR . 9.8 p -68.07 150.69 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.28 -102.58 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.8 m -135.57 116.05 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.883 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -108.17 127.91 54.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.68 101.73 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.811 ' HA ' HG22 ' A' ' 103' ' ' VAL . 7.3 p -61.56 155.79 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.067 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -61.3 -24.82 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 1.067 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.33 -27.2 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.93 -23.81 9.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.531 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -76.31 -178.34 4.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.4 p -112.48 153.53 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.2 p -128.56 103.31 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.8 m -63.39 103.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.66 HG13 ' CG2' ' A' ' 135' ' ' VAL . 25.1 t -96.43 157.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.549 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.94 166.72 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.444 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.447 ' HB3' HG21 ' A' ' 140' ' ' VAL . 7.7 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 9.2 mttt -137.78 155.5 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.66 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.5 t -151.97 119.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.05 44.43 9.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 6.9 t30 86.89 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.757 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -58.39 174.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.459 ' N ' ' OD2' ' A' ' 156' ' ' ASP . 14.3 m-20 -121.13 112.98 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 133' ' ' LEU . 72.9 t -57.27 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.571 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.2 t -61.52 -61.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.1 t -145.59 105.47 4.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.01 167.18 12.26 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.86 16.07 68.72 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.861 HG13 HG22 ' A' ' 22' ' ' VAL . 1.5 t -88.37 57.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.1 m -47.41 127.23 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.2 p -92.75 -106.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . . . -91.85 -72.61 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 4.7 p30 -130.11 25.38 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.826 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -150.34 144.55 25.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.878 ' HB ' HG23 ' A' ' 67' ' ' THR . 23.9 m -81.61 172.87 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.475 ' H ' HG22 ' A' ' 151' ' ' THR . 1.7 t -138.54 125.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.63 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.2 m-85 -135.3 87.1 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.696 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -65.58 120.62 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.757 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.2 pp -113.38 178.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 11.3 p-10 -118.97 52.27 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.1 m -176.56 125.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 75' ' ' ALA . 22.0 t -70.02 70.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.602 HD11 ' CG1' ' A' ' 135' ' ' VAL . 62.5 mt -29.15 145.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.596 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.29 143.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.533 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 135.23 18.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 22' ' ' VAL . 2.4 mm? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.733 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.9 m -133.08 141.91 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.13 153.26 10.05 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.512 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -62.98 -39.97 98.73 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.76 -34.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -70.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.8 tm-20 -45.83 -50.46 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' ALA . 59.7 t80 -43.46 -65.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.7 -47.88 7.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.89 -39.21 38.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.06 -47.54 14.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -122.63 77.48 47.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -25.35 11.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.3 p -132.2 -168.16 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.62 179.21 51.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.42 1.075 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.69 20.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.841 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -82.05 6.17 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 90.4 p -86.6 169.04 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 145' ' ' VAL . 55.7 t -63.92 -37.33 79.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -31.91 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -62.06 -28.24 70.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.522 ' SD ' HG12 ' A' ' 145' ' ' VAL . 21.2 ptp -88.43 -9.74 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 147' ' ' THR . 43.2 m -76.89 -26.25 53.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.6 -26.03 64.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -108.31 169.13 6.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' CB ' ' OD1' ' A' ' 62' ' ' ASN . 18.3 Cg_endo -75.03 161.15 39.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.62 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 9.8 p -36.13 -34.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -65.53 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 31' ' ' ALA . 16.0 t -33.19 -48.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 147' ' ' THR . . . -37.03 -54.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -74.47 -39.56 62.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.567 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.8 t -47.54 -25.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.79 -46.76 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.857 ' O ' HG23 ' A' ' 41' ' ' THR . 4.0 t-20 -54.1 130.55 59.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -171.797 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.04 1.61 7.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 72' ' ' THR . 2.0 mm-40 -116.95 -7.78 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 154' ' ' MET . 59.8 mt -107.08 -28.08 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.9 p -36.83 -32.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.475 HG22 ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -69.05 -55.88 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.927 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.01 -52.36 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.737 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.5 m -46.93 -52.48 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -46.7 -36.12 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.9 -69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.796 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.79 -62.08 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.85 ' HA ' HG23 ' A' ' 58' ' ' VAL . 97.3 p -44.41 -61.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 144.63 -22.96 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.542 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.7 mt-30 -38.78 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 -48.14 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -132.04 127.19 20.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 5.09 4.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.43 3.24 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.6 t -123.45 140.5 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 6.0 p30 -162.87 105.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB3' HD22 ' A' ' 61' ' ' LEU . 13.9 mt -109.87 -20.85 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.85 HG23 ' HA ' ' A' ' 48' ' ' SER . 19.6 t -38.4 -33.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.2 t70 -77.46 -54.27 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' LEU . 92.5 m -58.99 -61.79 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -39.94 -37.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 29' ' ' PRO . 1.8 m-80 -85.2 48.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB2' ' OH ' ' A' ' 66' ' ' TYR . 2.6 m -106.09 -94.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -116.52 178.6 17.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -50.12 108.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 8.4 m-30 -111.97 -170.17 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.985 HG23 ' HB ' ' A' ' 151' ' ' THR . 41.6 m -152.49 86.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.984 HG12 ' HB2' ' A' ' 70' ' ' ALA . 35.2 t -52.54 135.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.736 ' CD2' HG23 ' A' ' 103' ' ' VAL . 16.9 m-85 -126.54 72.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.984 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -107.06 125.48 32.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 -136.303 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.927 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.94 118.53 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.815 HG22 ' SD ' ' A' ' 154' ' ' MET . 4.0 p -59.26 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -87.14 10.33 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.6 -9.34 11.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -82.03 -55.82 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.863 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 63.8 m-85 -64.84 -32.0 73.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -58.49 -38.53 77.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 24.3 mtpt -51.71 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.73 HD22 ' H ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -37.47 154.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.51 23.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.13 -51.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -47.39 84.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.79 -57.08 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.54 -23.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 89' ' ' THR . 1.1 tp10 -81.54 -47.92 12.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 6.4 mt -53.56 -22.66 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 12.5 mttt -88.7 23.4 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 86' ' ' GLU . 10.2 t -168.39 34.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' A' ' 93' ' ' LEU . 79.0 m-20 -122.53 -41.78 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER 39.39 29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 90' ' ' ASN . 1.8 m -149.71 -53.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.685 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -81.12 -17.5 49.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -89.56 -38.57 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 99' ' ' THR . 1.8 m -54.73 -43.98 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.517 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -56.1 -37.78 69.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -64.33 -55.26 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -46.9 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 95' ' ' THR . 67.6 p -43.2 -52.28 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 5.4 t80 -58.45 -18.14 26.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.642 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 53.5 m-70 -93.98 23.71 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -164.19 115.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 117' ' ' GLN . 15.7 t -102.72 146.47 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.86 113.36 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.485 ' O ' ' NH1' ' A' ' 116' ' ' ARG . . . 124.63 97.65 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.96 131.84 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.435 ' HB ' HG13 ' A' ' 112' ' ' VAL . 38.6 m -145.69 134.34 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 1.6 p -67.66 163.17 51.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.733 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.03 46.08 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.31 18.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' VAL . 23.5 m-80 -151.72 -50.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.28 -40.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.905 HG23 ' HA ' ' A' ' 127' ' ' THR . 3.2 p -40.34 138.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.49 -171.74 17.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.657 HG23 ' HB3' ' A' ' 123' ' ' SER . 1.2 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.786 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.732 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -111.22 113.77 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.817 ' O ' HG13 ' A' ' 103' ' ' VAL . 32.0 tt0 -69.5 103.62 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.609 ' HA ' HG13 ' A' ' 103' ' ' VAL . 4.7 p -80.94 173.33 12.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.463 ' C ' ' N ' ' A' ' 121' ' ' GLY . 17.5 mt -55.77 -57.83 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -40.0 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 106.39 -18.77 38.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 118' ' ' THR . . . -76.03 142.27 41.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 115' ' ' THR . 1.1 m -84.68 128.51 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.3 p -100.98 99.69 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 27.8 m -65.04 77.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 124' ' ' VAL . 40.2 t -63.99 165.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.905 ' HA ' HG23 ' A' ' 113' ' ' VAL . 17.3 m -155.77 173.62 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.483 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.521 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -130.06 154.5 47.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.026 HG12 HD21 ' A' ' 159' ' ' LEU . 2.0 t -141.29 103.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 65.17 -58.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.521 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -156.31 -39.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -59.85 170.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.405 ' C ' HG22 ' A' ' 155' ' ' ILE . 21.8 m-20 -114.54 122.29 46.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.1 136.33 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 154' ' ' MET . 3.1 t -114.55 -56.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.2 t -144.28 96.74 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.336 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.32 163.28 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.5 58.23 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 22' ' ' VAL . 1.5 t -89.1 52.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 61.5 m -47.2 126.94 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.534 HG22 ' HB1' ' A' ' 33' ' ' ALA . 2.9 p -84.95 -111.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -102.13 -38.55 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -158.98 47.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -178.45 132.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.985 ' HB ' HG23 ' A' ' 67' ' ' THR . 17.3 m -71.35 172.34 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -143.5 125.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.577 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 96.8 m-85 -133.25 94.66 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.815 ' SD ' HG22 ' A' ' 72' ' ' THR . 15.3 mtm -70.71 115.81 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 1.022 HD13 ' O ' ' A' ' 157' ' ' SER . 1.2 pp -109.56 168.07 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.487 ' O ' ' OG ' ' A' ' 157' ' ' SER . 7.0 p-10 -100.15 44.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 157' ' ' SER . . . . . 1.022 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -174.67 140.62 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.858 HG23 ' HG2' ' A' ' 160' ' ' MET . 0.8 OUTLIER -76.54 32.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.026 HD21 HG12 ' A' ' 135' ' ' VAL . 35.4 mt 36.73 -92.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.858 ' HG2' HG23 ' A' ' 158' ' ' VAL . 4.9 mtp 92.53 137.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.99 138.96 23.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 161' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.051 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 143' ' ' GLY . 26.4 m -124.66 134.62 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 141' ' ' VAL . . . 111.85 152.3 11.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -175.033 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.93 -67.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.696 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -36.47 -35.49 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.54 -30.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -86.0 -66.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.774 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 22.1 mt-10 -45.22 -49.69 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -53.11 -65.57 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.66 -39.67 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.42 -30.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 -33.31 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.717 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 16.7 m-80 -123.57 79.28 55.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.3 p -114.92 -15.97 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -45.41 177.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.63 21.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -104.91 32.45 4.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.7 p -107.68 173.33 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 145' ' ' VAL . 43.2 t -56.61 -48.32 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 26' ' ' SER . 54.2 tt0 -82.39 -47.41 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -47.14 25.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.785 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.5 ptp -68.66 -17.4 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 3.6 t -64.68 -40.84 96.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -66.26 -10.87 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.536 ' CG ' HG12 ' A' ' 32' ' ' VAL . 66.1 m-20 -100.67 146.4 32.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.02 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.798 HG13 ' H ' ' A' ' 31' ' ' ALA . 9.7 p 29.92 -119.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.798 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -10.14 -71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.6 -62.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.785 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -30.81 -75.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.804 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -50.62 -37.38 39.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.946 ' HB3' HG21 ' A' ' 44' ' ' THR . 0.7 OUTLIER -59.18 -15.64 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.17 -18.94 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -61.0 128.34 89.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 169.586 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.689 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -75.0 7.67 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.678 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.61 -18.92 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -103.92 -14.51 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -41.72 -31.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -72.25 -49.35 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.04 -57.92 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.946 HG21 ' HB3' ' A' ' 35' ' ' SER . 1.1 m -48.25 -63.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -36.62 -37.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.78 -70.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.869 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -49.87 -60.11 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.05 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 154.83 -22.81 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.422 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.3 mt-30 -43.14 -26.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 1.7 tp -92.01 -40.51 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.32 121.19 10.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 8.95 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -116.34 9.91 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.861 HG21 ' CD2' ' A' ' 94' ' ' LEU . 1.5 t -130.35 151.71 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' SER . 3.1 p30 -169.56 109.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' THR . 16.6 mt -126.95 -38.32 2.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.732 HG23 ' HB1' ' A' ' 31' ' ' ALA . 7.4 p -31.41 -59.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -45.07 -52.62 8.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -60.65 -58.72 7.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.737 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.1 mt -35.61 -34.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 60' ' ' THR . 34.3 t30 -88.33 53.3 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.29 110.0 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 87.87 138.16 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.4 mp0 -52.23 104.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 6.5 m-30 -109.22 -174.85 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 151' ' ' THR . 35.7 m -149.32 90.71 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.917 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.8 t -54.51 142.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.48 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 11.0 m-85 -133.21 59.64 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.917 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.78 129.03 29.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -136.471 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 108.43 2.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.558 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 71.6 p -56.04 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -87.18 -8.59 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.595 ' N ' HD22 ' A' ' 73' ' ' ASN . . . -106.32 21.69 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 158' ' ' VAL . . . -118.07 -36.96 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 41.4 m-85 -86.52 -24.7 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.8 m -71.56 -7.5 48.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 74' ' ' ALA . 3.4 mtmm -81.27 -10.83 59.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 HG21 ' A' ' 158' ' ' VAL . 2.4 mt -110.69 155.94 41.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.23 42.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.83 -38.25 61.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.37 -49.4 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -49.34 77.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.43 -39.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.44 -30.35 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -72.15 -39.33 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.588 ' HB3' HD13 ' A' ' 94' ' ' LEU . 6.1 mt -62.26 -35.37 78.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 15.7 mttt -73.33 1.85 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 86' ' ' GLU . 12.0 t -144.7 36.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' SER . 96.6 m-20 -119.05 -85.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.8 t 83.56 -3.34 1.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p -125.55 -41.44 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -90.13 -25.33 20.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.861 ' CD2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -81.42 -57.18 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 t -41.87 -41.0 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.94 -49.66 74.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.414 HG22 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -59.5 -51.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD21 HD12 ' A' ' 94' ' ' LEU . 1.6 mt -51.54 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 22.6 p -49.44 -45.68 46.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.656 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.4 t80 -59.42 -25.21 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.734 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 20.8 m-70 -85.22 16.31 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.457 HG11 HD22 ' A' ' 61' ' ' LEU . 2.2 t -148.85 147.31 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.897 HG22 ' HA ' ' A' ' 118' ' ' THR . 30.0 t -129.99 141.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.582 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -91.97 99.94 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.36 90.05 0.28 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.25 140.54 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.8 m -159.8 129.04 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.442 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -60.27 165.0 5.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.84 -46.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -96.84 -25.9 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.744 HG13 HG11 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -50.66 -26.96 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.522 ' HA ' HG12 ' A' ' 126' ' ' VAL . 10.2 p -58.9 154.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.55 -167.29 44.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 25.1 m -67.95 122.37 18.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.779 HH21 ' HB3' ' A' ' 117' ' ' GLN . 4.9 tpm_? -130.43 133.41 46.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.869 ' O ' HG13 ' A' ' 103' ' ' VAL . 40.4 tt0 -73.67 128.12 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.897 ' HA ' HG22 ' A' ' 103' ' ' VAL . 68.5 p -103.22 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.582 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 14.2 mt -59.59 -49.08 79.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.494 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 22.3 tp60 -49.95 -20.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.71 -30.24 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.81 175.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 0.809 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.438 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 0.3 OUTLIER -113.46 138.68 49.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.2 p -106.02 121.75 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.3 m -73.72 72.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.744 HG11 HG13 ' A' ' 112' ' ' VAL . 27.7 t -60.76 149.28 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 128' ' ' GLY . 7.4 m -148.1 176.07 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.73 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.73 HD23 ' HA2' ' A' ' 128' ' ' GLY . 9.4 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 127' ' ' THR . 60.7 mttt -139.98 160.78 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.746 ' CG1' HD11 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -153.97 120.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.03 48.13 6.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.2 t30 87.79 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.666 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -52.18 176.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 141' ' ' VAL . 1.5 m-20 -123.23 116.75 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 41.7 t -58.43 88.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.696 HG12 ' HA3' ' A' ' 7' ' ' GLY . 4.2 t -57.08 -59.48 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.733 ' SG ' HG21 ' A' ' 145' ' ' VAL . 43.5 t -144.64 98.9 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.623 ' O ' HG22 ' A' ' 4' ' ' VAL . . . -110.88 168.86 13.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.29 27.1 70.54 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 22' ' ' VAL . 6.6 t -100.65 51.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.1 m -36.59 112.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.7 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.9 OUTLIER -75.82 -97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -107.27 -78.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.7 p30 -121.88 43.17 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -176.77 136.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.951 ' HB ' HG23 ' A' ' 67' ' ' THR . 12.6 m -64.4 174.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.65 HG21 HG23 ' A' ' 147' ' ' THR . 1.4 t -140.41 122.88 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.631 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.3 m-85 -135.88 84.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.827 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.3 mpp? -70.9 112.17 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.666 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -102.67 173.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.43 ' O ' ' OG ' ' A' ' 157' ' ' SER . 17.2 p-10 -111.55 45.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -173.34 119.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 158' ' ' VAL . 1.0 OUTLIER -67.5 74.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.746 HD11 ' CG1' ' A' ' 135' ' ' VAL . 21.3 mt -32.84 154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.656 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 mtt -134.01 144.14 50.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.496 HD21 HG21 ' A' ' 22' ' ' VAL . 1.9 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.788 HG13 ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -87.98 -176.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.788 ' N ' HG13 ' A' ' 4' ' ' VAL . . . 68.59 159.54 1.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 144.511 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.678 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.1 Cg_endo -75.02 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.734 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.64 -58.8 2.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -37.66 -35.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -56.57 -60.9 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -76.7 -51.69 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLY . 52.0 t80 -35.71 -67.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.22 -56.06 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.37 -36.93 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.18 -44.4 19.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -128.24 76.46 78.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.03 -62.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -123.03 107.28 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.38 -160.63 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.863 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.24 52.33 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -126.24 167.5 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.774 ' HB ' HG13 ' A' ' 145' ' ' VAL . 2.5 m -66.6 -11.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -106.58 -45.48 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.09 -17.88 11.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.596 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 21.9 ptp -99.0 -9.86 23.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.794 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 147' ' ' THR . 26.3 t -75.91 -37.09 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.21 -3.09 47.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -118.31 161.4 35.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 139.24 24.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -22.7 -50.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -47.3 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.459 HG13 ' OG ' ' A' ' 35' ' ' SER . 14.8 t -44.21 -38.39 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.75 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.95 -25.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' VAL . . . -101.92 -32.65 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.63 ' CB ' HG21 ' A' ' 44' ' ' THR . 12.8 p -57.61 -17.02 12.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 53.7 m-80 -79.2 -39.84 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.7 ' HB2' HD12 ' A' ' 40' ' ' LEU . 16.2 t-20 -75.96 138.45 69.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -156.097 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.863 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.06 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -122.58 -4.0 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD22 ' HB1' ' A' ' 70' ' ' ALA . 2.4 mt -121.93 -6.76 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -44.31 -56.95 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -61.55 -32.26 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.949 ' HG ' HD21 ' A' ' 47' ' ' LEU . 1.1 tp -64.11 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.63 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -46.49 -60.28 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -38.06 -38.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.73 -71.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.949 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.76 -61.46 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.658 ' HA ' HG23 ' A' ' 58' ' ' VAL . 38.5 p -42.95 -57.72 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 139.68 -22.01 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.502 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 13.3 mt-30 -37.71 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -84.55 -51.12 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.776 ' HB3' HG13 ' A' ' 55' ' ' VAL . 1.5 t30 -122.66 128.18 25.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 2.7 6.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -115.87 -2.2 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.776 HG13 ' HB3' ' A' ' 52' ' ' ASN . 3.6 m -114.56 130.69 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.675 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.0 p30 -157.83 84.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.857 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -95.54 14.05 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG22 ' HB1' ' A' ' 31' ' ' ALA . 1.3 t -69.91 -65.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.581 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -42.63 -43.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 62' ' ' ASN . 8.3 m -70.76 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.588 HD22 HG21 ' A' ' 102' ' ' VAL . 2.6 mt -39.57 -29.23 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 60' ' ' THR . 44.6 t30 -95.52 57.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 178.16 106.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.15 142.63 12.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mp0 -63.0 105.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.459 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 14.7 m-30 -114.83 -176.44 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.899 HG23 ' HB ' ' A' ' 151' ' ' THR . 19.7 m -147.75 86.53 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.6 t -52.44 135.15 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.546 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 11.6 m-85 -123.75 70.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.13 129.38 35.62 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -139.793 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.921 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.04 122.2 7.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.769 HG21 HG21 ' A' ' 141' ' ' VAL . 36.0 p -64.8 175.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -67.03 -16.87 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.29 -20.04 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.94 -44.0 51.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.5 m-85 -71.46 -42.08 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -55.32 -44.16 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -40.69 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 83' ' ' THR . 13.3 mt -46.75 153.28 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 138.48 22.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -38.58 -36.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -57.47 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.409 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -53.65 -46.42 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.579 HG22 ' HE3' ' A' ' 88' ' ' LYS . 32.1 mm -62.12 -71.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.493 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 3.1 t70 -40.47 -28.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -73.69 -46.54 45.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.679 ' O ' HD22 ' A' ' 94' ' ' LEU . 4.6 mt -49.79 -32.86 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.96 29.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 86' ' ' GLU . 6.3 t -172.52 31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 86.2 m-20 -119.79 -72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.549 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . 8.9 t 75.38 0.02 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.44 -48.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -86.44 -17.95 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.897 HD12 HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -87.49 -45.99 10.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 99' ' ' THR . 47.6 m -57.58 -46.64 83.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 1.2 m -51.68 -35.06 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.575 HD13 ' CG1' ' A' ' 158' ' ' VAL . 5.0 mt -68.14 -64.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.897 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -41.23 -56.17 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 102' ' ' VAL . 1.1 p -51.47 -50.97 58.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.702 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.4 t80 -60.29 -16.46 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.651 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 37.5 m-70 -93.74 23.4 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.568 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -157.89 127.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 118' ' ' THR . 20.7 t -106.97 160.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -102.57 105.11 15.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 126.99 86.16 0.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -36.66 131.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 108' ' ' SER . 25.7 m -131.89 170.89 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.421 ' H ' HG22 ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.52 162.41 22.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.566 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.52 -46.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.04 -22.2 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.433 HG13 HG11 ' A' ' 126' ' ' VAL . 9.8 p -51.29 -24.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 126' ' ' VAL . 15.6 t -61.13 131.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.16 164.18 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.416 ' H ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -72.69 86.94 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.4 OUTLIER -76.68 -173.53 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -130.96 98.91 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.777 ' HA ' HG22 ' A' ' 103' ' ' VAL . 66.8 p -54.53 150.6 8.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.074 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -53.21 -24.05 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 1.074 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -62.88 -46.59 87.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 139.19 -26.36 2.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -77.62 161.11 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -93.96 138.02 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.1 p -110.34 106.68 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.5 m -69.12 105.38 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.786 HG22 HG22 ' A' ' 135' ' ' VAL . 45.4 t -99.64 140.51 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.549 ' HA ' HG13 ' A' ' 113' ' ' VAL . 8.7 m -135.57 175.4 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.504 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 127' ' ' THR . 5.9 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.782 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -129.59 164.59 23.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.816 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 1.7 t -166.33 129.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 29.48 79.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER 39.54 49.83 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.87 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -147.96 172.03 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.7 m-20 -122.59 121.56 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 74.5 t -61.42 112.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.769 HG21 HG21 ' A' ' 72' ' ' THR . 2.4 t -80.63 -43.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.588 ' HA ' HG12 ' A' ' 4' ' ' VAL . 36.5 t -163.06 119.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -122.46 -171.63 13.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 60.97 18.74 55.24 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.774 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.4 t -86.57 57.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -47.2 133.44 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.75 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 3.2 p -100.79 -105.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -104.05 -65.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -131.07 38.47 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.617 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -171.61 154.71 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.899 ' HB ' HG23 ' A' ' 67' ' ' THR . 58.5 m -92.73 176.5 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.587 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -140.4 131.43 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.504 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 76.8 m-85 -140.33 91.33 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.555 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -63.5 145.28 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.765 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -138.32 176.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -112.85 31.08 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.87 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.9 m -156.28 145.07 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 158' ' ' VAL . 89.3 t -73.73 13.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 157' ' ' SER . 7.2 mt 48.38 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.702 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 21.9 mtp 77.2 138.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.436 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 127.2 10.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.582 HG21 ' CB ' ' A' ' 109' ' ' PRO . 33.8 m -136.83 137.8 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.24 156.08 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 177.562 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.51 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -62.11 -37.11 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -29.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.93 -75.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -44.6 -52.07 8.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ALA . 52.3 t80 -37.31 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.9 -51.42 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -46.58 -47.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.9 -52.36 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.27 80.55 12.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.01 -27.99 9.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.5 p -140.89 -159.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.19 -171.13 54.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.69 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -85.93 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.511 ' O ' ' CE ' ' A' ' 25' ' ' MET . 77.5 p -129.46 177.89 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.956 HG22 ' CG1' ' A' ' 145' ' ' VAL . 4.9 t -72.31 -40.51 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.0 tp60 -89.5 -49.71 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.17 -27.8 2.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.692 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 12.9 ptp -92.96 -22.51 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLN . 2.2 m -64.82 -12.75 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -93.28 11.09 29.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 76.6 m-20 -128.28 152.01 77.28 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 96.9 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.716 HG22 ' N ' ' A' ' 31' ' ' ALA . 3.8 p 29.86 -113.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.716 ' N ' HG22 ' A' ' 30' ' ' VAL . . . -12.06 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.55 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 56.5 t -34.34 -60.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.692 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -40.26 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' C ' HG21 ' A' ' 44' ' ' THR . . . -48.01 -29.35 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.76 ' N ' HG21 ' A' ' 44' ' ' THR . 1.6 p -78.72 47.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -160.16 -40.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.93 ' O ' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -50.55 133.16 26.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 171.38 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 3.64 5.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -121.8 -3.3 9.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD22 ' HB1' ' A' ' 70' ' ' ALA . 38.8 mt -114.13 -30.84 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.6 p -37.79 -33.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.679 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.1 t -70.54 -51.72 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.876 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.94 -54.35 46.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.76 HG21 ' N ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -47.0 -60.72 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -37.82 -40.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.62 -73.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -45.59 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 11.9 p -41.39 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 152.85 -19.42 0.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.98 -22.14 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.746 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD21 ' HE2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -109.36 -46.65 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.8 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -110.79 98.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 11.06 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -122.87 2.98 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.8 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -125.06 175.62 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 8.3 p-10 175.2 113.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 99' ' ' THR . 0.6 OUTLIER -123.99 -41.1 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG13 ' H ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -22.58 -70.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.706 ' H ' HG13 ' A' ' 58' ' ' VAL . 5.0 m-20 -37.58 -57.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 57' ' ' LEU . 14.1 m -57.78 -55.91 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' HG11 ' A' ' 30' ' ' VAL . 8.5 mt -36.16 -43.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -85.01 50.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 60' ' ' THR . 26.7 t -112.15 -91.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -106.13 176.06 21.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.2 mt-30 -56.24 106.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.518 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 8.8 m-30 -110.56 -174.36 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.894 HG23 ' HB ' ' A' ' 151' ' ' THR . 24.8 m -151.26 87.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.9 t -52.7 133.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.651 ' CD2' HG23 ' A' ' 103' ' ' VAL . 13.9 m-85 -125.11 66.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.02 131.81 29.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -138.347 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.876 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.94 114.41 4.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.579 HG21 HG21 ' A' ' 141' ' ' VAL . 19.8 p -58.47 179.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -73.94 -7.87 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -90.88 -22.84 20.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HB2' ' N ' ' A' ' 157' ' ' SER . . . -75.85 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.748 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.3 m-85 -55.18 -43.36 74.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -48.73 -54.46 14.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' SER . 6.6 mtmt -37.26 -57.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 79' ' ' LEU . 6.4 mt -49.82 145.12 9.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.0 147.08 33.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.42 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -49.61 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.97 -53.07 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.52 -57.28 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.91 -22.44 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 4.2 tp10 -80.18 -50.61 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.834 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.7 mt -55.08 -26.46 37.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HE2' HD21 ' A' ' 51' ' ' LEU . 22.9 mttt -78.73 1.77 21.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 p -141.48 12.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.543 ' ND2' HD23 ' A' ' 87' ' ' LEU . 26.7 m-20 -107.37 -163.02 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 95' ' ' THR . 5.3 p 173.83 -30.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -105.54 33.76 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.81 -44.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -77.32 -52.03 9.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 91' ' ' SER . 1.8 m -40.83 -44.11 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -54.24 -48.28 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.69 HG22 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -57.5 -55.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.69 HD23 HG22 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -50.21 -61.5 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.733 HG22 HD21 ' A' ' 57' ' ' LEU . 2.2 p -49.87 -41.28 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.712 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.8 t80 -67.48 -17.85 64.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.708 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 26.8 m-70 -90.31 19.56 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.576 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.77 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.651 HG23 ' CD2' ' A' ' 69' ' ' PHE . 56.0 t -103.06 152.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.17 95.88 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.63 100.39 0.33 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 133.23 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.653 HG21 ' NH2' ' A' ' 116' ' ' ARG . 17.5 m -152.63 147.16 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.4 p -78.69 164.5 55.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.582 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 49.07 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.14 21.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 112' ' ' VAL . 5.3 m120 -157.63 -52.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.46 -42.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 111' ' ' ASN . 3.0 t -39.76 159.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 113' ' ' VAL . . . 105.67 -136.65 13.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.8 m -126.93 99.11 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.653 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -92.46 -179.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -125.66 97.78 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 103' ' ' VAL . 19.3 p -54.45 167.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.676 HD11 HG22 ' A' ' 99' ' ' THR . 0.5 OUTLIER -67.83 -25.37 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 30.9 tp60 -66.45 -11.95 54.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.5 -21.84 42.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -77.91 168.09 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.7 m -100.82 144.51 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.34 117.13 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -78.98 91.02 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.823 HG13 ' CG2' ' A' ' 135' ' ' VAL . 24.3 t -86.31 147.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.467 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -153.32 172.97 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 133' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 135' ' ' VAL . 9.3 mttt -131.9 159.91 37.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.823 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.4 t -156.98 118.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 48.86 39.5 25.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.1 t30 89.14 -29.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.809 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -61.1 174.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.6 m-20 -122.91 112.09 17.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 154' ' ' MET . 57.4 t -56.7 97.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -66.65 -52.35 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 17.9 t -150.94 105.24 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.85 165.01 12.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.05 17.66 62.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.956 ' CG1' HG22 ' A' ' 22' ' ' VAL . 2.1 t -88.22 53.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.532 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.3 m -44.57 122.95 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.7 OUTLIER -87.58 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.34 -74.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 8.5 p30 -120.99 34.79 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.596 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -167.53 147.85 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.894 ' HB ' HG23 ' A' ' 67' ' ' THR . 20.6 m -85.12 176.76 8.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.569 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -141.51 126.23 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.52 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.2 m-85 -136.39 88.39 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 72' ' ' THR . 2.0 mtm -60.67 137.79 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.809 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.4 pp -135.26 161.35 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 13.5 p-10 -104.08 51.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.63 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.4 m -169.14 141.09 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 158' ' ' VAL . 62.7 t -82.13 68.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.749 HD11 ' CG1' ' A' ' 135' ' ' VAL . 18.9 mt -27.27 140.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.712 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -133.04 141.52 41.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.444 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.535 HD12 ' SG ' ' A' ' 142' ' ' CYS . 4.3 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.756 ' CG1' HD22 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -141.03 9.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -128.59 151.3 18.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -169.307 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.607 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.98 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.748 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.15 -58.31 1.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -36.24 -34.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -63.5 -64.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.0 tt0 -70.55 -54.46 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.6 t80 -39.65 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.62 -45.56 4.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -40.32 -32.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.85 -41.18 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -121.01 79.39 33.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -41.44 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' OG ' ' A' ' 21' ' ' SER . 77.3 p -124.79 -164.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.64 -174.93 50.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.33 20.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.842 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -103.14 45.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.432 ' OG ' ' C ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -125.19 173.52 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.959 HG13 HG13 ' A' ' 145' ' ' VAL . 3.5 t -63.42 -44.25 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -87.95 -47.58 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.21 -51.84 7.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.784 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 7.4 ptp -57.04 -20.85 26.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 5.3 t -61.35 -38.89 88.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.0 -7.79 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.505 ' CG ' HG12 ' A' ' 32' ' ' VAL . 74.7 m-20 -104.63 145.14 30.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.94 98.03 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.9 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.4 p 30.68 -122.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.763 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.24 -70.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.551 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 79.4 t -31.06 -63.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -30.64 -70.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.75 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -48.88 -45.61 41.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' SER . . . . . 1.118 ' N ' HG21 ' A' ' 44' ' ' THR . 4.7 m -51.78 -20.26 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 6.0 m120 -138.99 28.76 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.692 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -85.13 133.17 43.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 129.963 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.842 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.759 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.2 mt-10 -116.01 -18.59 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.046 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.16 -16.58 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -38.28 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 40' ' ' LEU . 4.3 m -72.93 -54.72 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.695 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -53.99 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 44' ' ' THR . . . . . 1.118 HG21 ' N ' ' A' ' 35' ' ' SER . 81.3 p -47.78 -60.56 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.52 -39.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.698 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.06 -69.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.695 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.47 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.36 -67.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.26 -18.62 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.6 mt-30 -46.16 -24.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -98.32 -53.62 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -120.33 116.13 32.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 13.01 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.9 mt-30 -119.59 8.66 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.514 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 39.0 t -127.99 158.13 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.1 p-10 -177.27 107.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.687 HD11 HG23 ' A' ' 99' ' ' THR . 13.7 mt -116.6 -36.87 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.776 HG13 ' H ' ' A' ' 59' ' ' ASP . 1.3 p -28.33 -72.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.776 ' H ' HG13 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.86 -50.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.4 m -66.77 -55.8 13.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.9 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.66 -26.47 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' VAL . 38.8 t30 -91.09 49.4 1.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -177.28 104.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.1 138.67 8.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.1 mt-30 -62.14 101.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.4 m-30 -112.19 -175.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.854 HG23 ' HB ' ' A' ' 151' ' ' THR . 14.9 m -143.48 86.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' A' ' 70' ' ' ALA . 61.7 t -52.34 134.61 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -125.42 68.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -102.13 124.9 38.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -139.387 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.774 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.561 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 76.8 p -56.39 -160.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.47 -25.9 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.99 -2.15 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -95.46 -48.72 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 51.1 m-85 -77.85 -36.78 49.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -55.96 -21.82 23.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 4.4 mtmt -66.14 -51.34 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 83' ' ' THR . 51.9 mt -62.75 151.55 84.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.9 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.48 -33.53 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.96 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.576 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -58.97 -45.13 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.2 -45.63 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -23.28 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -79.45 -47.89 14.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 6.9 mt -59.49 -16.63 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.756 ' O ' HG23 ' A' ' 89' ' ' THR . 21.3 mtmt -88.9 15.19 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.44 32.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.587 ' ND2' HD23 ' A' ' 93' ' ' LEU . 97.2 m-20 -116.81 -73.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.514 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 29.5 t 67.22 11.06 8.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.5 p -133.74 -44.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.587 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -89.12 -22.86 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.973 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.49 -47.44 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.43 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 38.1 m -50.96 -34.67 29.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -62.84 -36.88 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 101' ' ' HIS . 4.0 mt -69.81 -57.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.973 HD21 HD12 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -43.97 -62.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.893 HG22 HD22 ' A' ' 119' ' ' LEU . 3.3 p -49.04 -49.69 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.644 ' CE2' ' O ' ' A' ' 160' ' ' MET . 30.3 t80 -62.41 -9.1 7.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.798 ' CE1' HD11 ' A' ' 155' ' ' ILE . 21.8 m-70 -101.17 25.16 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -157.85 120.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 1.028 HG13 ' O ' ' A' ' 117' ' ' GLN . 73.0 t -102.06 139.79 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 116.38 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.22 86.01 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.3 OUTLIER -39.15 146.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 0.736 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.0 m -159.86 159.14 32.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -98.76 165.58 14.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -138.61 -46.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -99.26 -30.93 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.714 HG13 HG11 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -42.72 -33.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.75 HG23 ' HA ' ' A' ' 127' ' ' THR . 2.4 p -55.97 131.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.44 -170.6 13.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.4 m -71.14 110.09 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.748 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -120.55 125.1 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 1.028 ' O ' HG13 ' A' ' 103' ' ' VAL . 29.4 tt0 -70.25 124.57 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.617 HG22 HG22 ' A' ' 103' ' ' VAL . 43.9 p -96.29 170.82 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.893 HD22 HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -51.37 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -36.16 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 115.07 -23.83 11.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -63.21 -170.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 p -123.41 139.01 54.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 116' ' ' ARG . 11.0 p -114.35 106.17 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 m -74.37 79.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.714 HG11 HG13 ' A' ' 112' ' ' VAL . 21.4 t -67.26 154.63 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.75 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -153.52 179.11 9.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.756 HD22 ' CG1' ' A' ' 4' ' ' VAL . 2.8 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 135' ' ' VAL . 2.5 mtmm -116.51 166.52 12.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.697 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.1 t -155.79 123.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 38.65 45.71 2.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 17.2 t-20 88.91 -42.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -56.28 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.806 ' O ' HG22 ' A' ' 155' ' ' ILE . 6.2 m-20 -123.06 173.76 7.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 74.3 t -114.23 95.09 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.748 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -63.78 -53.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' A' ' 145' ' ' VAL . 41.2 t -154.22 104.12 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.76 162.17 12.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.79 69.43 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.959 HG13 HG13 ' A' ' 22' ' ' VAL . 5.3 t -88.53 53.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 0.9 OUTLIER -37.48 112.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.645 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.0 OUTLIER -78.06 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.8 -84.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.9 p30 -111.06 39.66 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -175.83 151.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.854 ' HB ' HG23 ' A' ' 67' ' ' THR . 7.2 m -80.01 177.69 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 151' ' ' THR . 1.6 t -142.22 123.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.567 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.9 m-85 -134.47 84.69 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.572 ' SD ' HD21 ' A' ' 40' ' ' LEU . 12.7 mtm -61.46 137.74 58.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.806 HG22 ' O ' ' A' ' 139' ' ' ASP . 7.2 pt -125.53 179.31 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.481 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 5.5 p-10 -115.76 27.42 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -158.46 138.43 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 158' ' ' VAL . 1.1 m -74.04 61.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 158' ' ' VAL . 1.2 tp -20.3 133.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.644 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.3 mtt -124.92 148.79 60.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.449 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 138.91 23.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.734 HD13 ' SG ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.821 HG21 ' HB2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -104.25 -5.66 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -114.91 149.93 18.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -159.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.99 -65.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.24 -37.09 4.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.734 ' SG ' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.11 -38.76 40.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.82 -65.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -65.83 -49.76 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' ALA . 85.0 t80 -34.89 -60.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -36.63 -60.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . . . -39.77 -47.55 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.9 -52.33 51.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.544 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 26.6 m120 -121.14 79.01 34.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.97 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.2 p -119.6 -10.84 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.79 -178.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.15 3.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -66.89 -9.7 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -61.82 165.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.084 HG12 HG13 ' A' ' 145' ' ' VAL . 27.0 m -58.56 -38.85 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' SER . 2.5 tp60 -88.23 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.57 -20.35 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.708 ' HG3' HG22 ' A' ' 147' ' ' THR . 18.5 ptp -102.21 -17.02 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' HA ' ' C ' ' A' ' 147' ' ' THR . 74.0 m -62.96 -36.74 84.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.36 -10.73 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 46.7 m-20 -104.8 145.97 31.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.618 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.778 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 27.86 -103.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.778 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -17.84 -78.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.618 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 71.0 t -34.52 -60.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -37.63 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.875 ' C ' HG21 ' A' ' 44' ' ' THR . . . -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.775 ' N ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -76.31 48.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -170.15 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.898 ' O ' HG23 ' A' ' 41' ' ' THR . 15.9 m-80 -48.43 127.63 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 160.574 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.635 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 4.55 4.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.449 1.763 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.714 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.2 mm-40 -119.92 -6.81 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.714 HD23 ' C ' ' A' ' 39' ' ' GLU . 7.5 mt -115.65 -32.51 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.1 p -34.24 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.4 m -69.06 -56.83 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.919 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.09 -51.81 68.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.875 HG21 ' C ' ' A' ' 34' ' ' ALA . 5.1 p -47.56 -54.99 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -42.81 -38.62 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.77 -70.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -47.6 -61.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.924 ' HA ' HG23 ' A' ' 58' ' ' VAL . 88.5 p -42.24 -48.64 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 131.85 -22.15 4.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 5.5 mm-40 -38.36 -56.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -56.6 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.63 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -112.12 118.52 45.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 4.04 5.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.33 5.27 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 47' ' ' LEU . 2.3 t -128.41 153.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -169.1 93.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.87 14.22 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.924 HG23 ' HA ' ' A' ' 48' ' ' SER . 1.9 t -66.86 -33.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -81.63 -37.87 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 63' ' ' SER . 18.3 m -67.37 -62.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.756 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 6.8 mt -39.15 -48.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -81.74 51.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 60' ' ' THR . 14.4 t -108.79 -93.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.82 177.97 19.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -49.33 105.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.5 m-30 -112.7 -175.37 2.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.98 HG23 ' HB ' ' A' ' 151' ' ' THR . 34.8 m -153.59 87.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.885 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.4 t -51.03 134.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 8.7 m-85 -125.83 65.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.885 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.91 129.53 32.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -137.548 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.914 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 117.24 4.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 155' ' ' ILE . 39.9 p -60.76 170.05 1.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -61.38 -35.02 76.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.74 -28.53 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HA ' ' HZ1' ' A' ' 78' ' ' LYS . . . -70.0 -46.38 65.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 28.5 m-85 -68.86 -42.59 76.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -49.18 -49.59 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HZ3' ' HA ' ' A' ' 157' ' ' SER . 4.3 mtmp? -40.75 -65.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.499 HD13 HG21 ' A' ' 83' ' ' THR . 6.4 mt -42.71 146.96 0.67 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.99 -50.27 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 p -40.93 -51.3 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.499 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -58.41 -49.7 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.53 -49.45 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.74 -21.5 41.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -48.96 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.1 mt -56.12 -20.82 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -85.74 12.49 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.1 t -163.9 36.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 91' ' ' SER . 94.0 m-20 -114.71 -90.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 t 88.26 2.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 t -126.77 -46.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 tp -85.7 -25.25 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.948 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.69 -49.44 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 99' ' ' THR . 2.5 m -47.99 -42.77 28.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 14.1 m -60.06 -37.04 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 101' ' ' HIS . 3.1 mt -66.88 -60.15 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.948 HD21 HD12 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -43.67 -62.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 95' ' ' THR . 79.1 p -48.18 -45.35 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CE2' ' O ' ' A' ' 160' ' ' MET . 47.4 t80 -69.09 -10.67 58.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.645 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 11.6 m-70 -100.4 17.54 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -156.1 117.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 117' ' ' GLN . 71.5 t -94.18 148.94 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.56 101.61 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.38 -55.03 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 2.3 tt0 76.89 133.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 67.0 m -147.3 -91.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER 168.17 163.58 0.15 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.956 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.821 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -152.95 -44.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 20.7 m-20 -98.92 -37.38 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.601 HG13 HG11 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -41.15 -27.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' A' ' 127' ' ' THR . 10.0 p -59.69 138.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.67 170.38 20.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.59 103.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.588 ' HB2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -104.7 -177.28 3.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.904 ' O ' HG13 ' A' ' 103' ' ' VAL . 12.8 tt0 -126.33 128.8 47.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.167 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.455 ' HA ' HG22 ' A' ' 103' ' ' VAL . 69.2 p -94.45 146.5 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -43.19 -28.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.546 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 1.5 tm0? -56.86 -55.7 31.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.19 -23.26 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.43 175.21 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.5 m -103.69 143.71 32.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.5 p -114.97 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 m -69.76 93.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.605 HG13 HG22 ' A' ' 135' ' ' VAL . 13.2 t -86.23 160.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.657 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -155.87 165.6 35.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 180.0 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.555 ' CD1' HG13 ' A' ' 4' ' ' VAL . 7.0 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 156.22 27.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.605 HG22 HG13 ' A' ' 126' ' ' VAL . 2.3 t -139.92 118.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 55.76 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.3 t30 -143.1 21.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -119.35 -179.63 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 20.3 m-20 -125.14 118.71 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -54.68 121.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.449 HG23 ' CA ' ' A' ' 155' ' ' ILE . 2.4 t -94.36 -40.91 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 145' ' ' VAL . 9.7 t -159.27 101.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 152' ' ' VAL . . . -115.32 155.57 16.23 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.51 22.1 32.59 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.084 HG13 HG12 ' A' ' 22' ' ' VAL . 6.0 t -95.58 57.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 21.0 m -45.01 126.26 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.708 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.8 OUTLIER -91.16 -97.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -107.77 -72.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -125.64 30.07 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.648 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -160.3 149.15 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.98 ' HB ' HG23 ' A' ' 67' ' ' THR . 41.9 m -85.87 176.22 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.577 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -136.79 126.61 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.56 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 83.6 m-85 -138.29 87.12 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.49 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.32 147.5 53.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.76 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -136.47 178.48 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -118.78 45.36 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.569 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -170.47 141.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 158' ' ' VAL . 41.3 t -75.52 68.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -33.61 127.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.659 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 8.5 mtt -123.33 149.47 58.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.426 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.94 120.87 6.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 133' ' ' LEU . 10.0 p -148.28 156.53 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.69 156.59 23.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -160.661 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.4 Cg_endo -75.0 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.68 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.51 -47.91 4.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -40.45 -35.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PRO . . . -69.43 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.4 mm-40 -46.08 -55.07 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLY . 60.0 t80 -37.18 -64.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.34 -47.79 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -51.95 -37.97 54.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.19 -44.1 20.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -127.3 78.48 74.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.7 p -137.67 -155.18 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.15 -175.3 51.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.35 20.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.781 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.22 38.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.449 ' O ' ' HE3' ' A' ' 25' ' ' MET . 52.4 p -118.12 165.66 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 HG13 ' A' ' 145' ' ' VAL . 21.7 m -64.32 -32.9 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.703 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -94.36 -47.03 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.09 -19.72 5.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.815 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 18.4 ptp -101.3 -14.63 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -67.22 -22.03 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -84.14 -1.7 55.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' CG ' HG12 ' A' ' 32' ' ' VAL . 78.2 m-20 -112.33 147.99 38.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.5 Cg_endo -74.98 99.49 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.904 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.9 p 29.09 -121.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.8 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.4 -72.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.4 t -32.28 -61.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.815 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.61 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.741 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -41.28 -29.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.691 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.1 OUTLIER -77.71 48.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -166.22 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.693 ' O ' HG23 ' A' ' 41' ' ' THR . 4.4 m-20 -51.99 132.43 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 168.822 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.781 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.07 6.39 3.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.583 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -124.13 -0.93 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.741 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 20.8 mt -120.22 -34.17 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -38.54 -36.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.699 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.5 t -67.44 -50.54 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.838 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.43 -55.35 35.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.691 HG21 ' CB ' ' A' ' 35' ' ' SER . 59.0 m -45.74 -62.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -36.41 -40.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.17 -68.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.721 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -53.91 -61.86 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.7 p -40.47 -67.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.31 -19.94 0.94 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.9 mt-30 -45.42 -24.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 0.768 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -98.54 -52.06 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.639 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -121.62 116.54 30.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 10.74 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.0 mt-30 -119.24 13.57 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 137.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -157.68 83.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 99' ' ' THR . 4.0 mp -87.18 -32.68 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.702 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.0 p -29.6 -64.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.702 ' H ' HG13 ' A' ' 58' ' ' VAL . 4.1 m-20 -42.6 -53.95 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 23.9 m -61.31 -54.74 40.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.904 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.99 -24.01 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -94.38 50.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.87 108.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.15 133.01 7.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.4 mt-30 -54.23 105.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.556 ' HB3' HG23 ' A' ' 102' ' ' VAL . 12.1 m-30 -111.94 -173.28 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.818 HG23 ' HB ' ' A' ' 151' ' ' THR . 22.5 m -149.38 85.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.806 HG12 ' HB2' ' A' ' 70' ' ' ALA . 66.2 t -51.64 132.21 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.658 ' CD2' HG23 ' A' ' 103' ' ' VAL . 11.8 m-85 -122.37 71.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.806 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.98 132.19 26.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -138.617 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.838 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.97 122.97 7.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.524 HG21 HG21 ' A' ' 141' ' ' VAL . 17.2 p -69.79 170.12 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.4 -13.23 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.78 -22.11 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . . . -77.02 -61.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.782 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 61.9 m-85 -54.97 -27.12 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 1.2 m -62.51 -52.93 61.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmm -37.06 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.65 HD21 ' CG2' ' A' ' 158' ' ' VAL . 0.0 OUTLIER -36.49 148.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.04 33.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.57 1.827 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.07 -41.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -57.02 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -46.57 -47.2 19.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.1 -46.34 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -20.52 40.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 89' ' ' THR . 14.2 tp10 -82.65 -51.72 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.526 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.4 mt -54.8 -19.11 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -84.44 7.32 20.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 86' ' ' GLU . 10.6 t -147.53 15.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' A' ' 87' ' ' LEU . 4.0 m-20 -118.48 162.72 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 p -154.71 22.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.77 -47.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -79.1 -27.26 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.959 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.48 -43.91 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.0 m -51.09 -52.0 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -45.45 -45.2 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.753 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -60.38 -56.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.959 HD21 HD12 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -50.96 -60.25 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.919 HG22 HD11 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -50.63 -44.75 57.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.701 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.0 t80 -66.77 -12.95 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.605 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 40.8 m-70 -95.39 23.7 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.883 HG13 HD23 ' A' ' 119' ' ' LEU . 1.1 p -163.72 116.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 117' ' ' GLN . 74.3 t -94.86 146.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 104.67 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 127.44 110.98 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.9 tt0 -67.44 131.52 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.1 m -150.78 130.2 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 p -63.72 166.85 8.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.575 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 50.79 2.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.06 -45.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.409 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 23.2 m120 -96.63 -26.91 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.495 HG13 HG11 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -46.9 -24.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 127' ' ' THR . 93.8 t -65.88 139.87 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.88 -166.68 12.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.8 m -83.99 99.01 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.584 ' HD2' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -94.01 177.6 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.889 ' O ' HG13 ' A' ' 103' ' ' VAL . 38.6 tt0 -133.4 115.61 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.616 HG21 ' CD1' ' A' ' 100' ' ' TYR . 49.3 p -75.44 163.78 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.919 HD11 HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -65.18 -27.23 68.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 33.6 tp60 -59.38 -20.08 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 105.63 -12.57 46.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.49 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -85.32 176.93 8.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 p -109.64 138.62 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.6 p -112.66 108.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -75.59 98.37 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.761 HG13 HG22 ' A' ' 135' ' ' VAL . 3.6 t -94.37 150.13 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.556 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -146.63 169.52 18.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.955 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.605 HD12 HG22 ' A' ' 4' ' ' VAL . 7.3 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' CE ' ' O ' ' A' ' 138' ' ' ALA . 1.2 mtpt -119.09 159.12 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.761 HG22 HG13 ' A' ' 126' ' ' VAL . 5.8 t -143.41 112.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.61 -80.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -150.03 21.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -118.21 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -113.4 118.21 33.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 84.1 t -59.93 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.68 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.4 t -69.14 -57.23 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 9.9 t -144.69 105.25 4.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.81 159.57 13.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.24 14.62 57.14 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.736 HG13 HG12 ' A' ' 22' ' ' VAL . 1.7 t -82.19 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.8 m -47.23 112.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.2 OUTLIER -81.48 -96.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -114.49 -85.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -109.81 37.94 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.506 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -174.85 150.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.818 ' HB ' HG23 ' A' ' 67' ' ' THR . 18.5 m -88.05 179.87 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.633 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -145.91 125.97 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.553 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 89.0 m-85 -133.78 90.61 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.531 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -60.43 133.68 56.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -129.99 164.24 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 20.5 p-10 -102.92 47.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.746 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -172.9 146.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.65 ' CG2' HD21 ' A' ' 79' ' ' LEU . 72.6 t -73.2 12.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.7 HD21 HG12 ' A' ' 135' ' ' VAL . 11.5 mt 50.45 -83.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.701 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.8 mtt 79.27 136.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.426 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.34 11.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.27 141.72 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.83 155.38 17.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 175.281 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.715 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -38.86 -34.65 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -41.55 -50.36 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -71.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.32 -52.18 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 12' ' ' ALA . 12.1 t80 -54.3 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -47.3 -47.32 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -26.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.72 -31.22 12.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 4.5 m-80 -134.69 71.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' GLY . 12.8 p -115.98 -13.99 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -49.88 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -87.18 49.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.481 ' O ' ' CE ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -124.04 -176.96 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.813 HG22 HG13 ' A' ' 145' ' ' VAL . 7.7 t -64.86 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.71 -34.3 15.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.83 -8.65 42.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.617 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 21.4 ptp -112.07 -30.69 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 147' ' ' THR . 41.1 t -50.8 -48.21 59.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -52.7 -18.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 13.3 m-20 -101.67 152.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.06 99.25 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.932 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 25.09 -94.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.932 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -24.34 -85.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.637 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 55.9 t -35.4 -49.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -41.41 -50.7 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -65.99 -31.04 71.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.91 ' HB2' HG21 ' A' ' 44' ' ' THR . 3.4 t -57.21 -14.41 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -88.9 -38.34 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.79 ' O ' HG23 ' A' ' 41' ' ' THR . 0.8 OUTLIER -64.16 134.24 95.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -167.247 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.803 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 7.92 2.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.8 mm-40 -123.87 -8.94 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.75 HD22 ' HB1' ' A' ' 70' ' ' ALA . 9.4 mt -116.91 -11.21 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -37.84 -50.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -64.82 -42.83 94.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.922 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.19 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.91 HG21 ' HB2' ' A' ' 35' ' ' SER . 3.2 m -45.04 -57.51 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -40.43 -41.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.49 -70.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.922 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.48 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 8.6 t -43.67 -70.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 155.71 -21.95 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -42.74 -26.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -106.32 -47.28 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.848 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.73 90.43 18.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 15.09 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.9 mt-30 -119.52 10.67 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 52' ' ' ASN . 5.8 p -158.69 153.87 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.807 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -154.44 112.36 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.906 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.34 -30.94 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 43.2 t -34.62 -63.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' VAL . 63.5 m-20 -37.08 -44.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.2 m -76.71 -56.34 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 47' ' ' LEU . 3.9 mt -35.43 -38.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' THR . 44.9 t30 -91.87 52.83 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.4 m -112.66 -91.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -177.41 24.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 5.1 mt-30 -60.76 106.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.7 m-30 -111.22 -173.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.985 HG23 ' HB ' ' A' ' 151' ' ' THR . 30.8 m -151.81 89.89 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.854 HG12 ' HB2' ' A' ' 70' ' ' ALA . 6.2 t -53.23 135.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.2 m-85 -125.42 69.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.854 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.73 130.54 26.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -137.319 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.798 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 125.75 9.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.803 HG23 ' O ' ' A' ' 155' ' ' ILE . 26.7 p -67.89 174.5 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -66.37 -14.82 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.61 -21.95 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.35 -42.13 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.779 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 35.7 m-85 -72.48 -39.19 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -56.25 -42.73 77.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -44.57 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 79' ' ' LEU . 4.8 mt -40.09 151.66 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.94 140.73 25.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.1 -44.4 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.5 p -45.08 -43.29 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.94 -51.52 54.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.488 HG22 ' HD2' ' A' ' 88' ' ' LYS . 38.6 mm -57.52 -55.9 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -24.65 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 89' ' ' THR . 0.7 OUTLIER -78.53 -40.95 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD23 ' ND2' ' A' ' 90' ' ' ASN . 5.3 mt -65.6 -19.18 65.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' HG22 ' A' ' 84' ' ' ILE . 5.5 mtpt -90.68 34.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 86' ' ' GLU . 9.8 t -173.72 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.557 ' ND2' HD23 ' A' ' 87' ' ' LEU . 92.1 m-20 -39.92 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER 82.02 -7.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 p -127.09 16.22 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -151.63 -43.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.982 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -59.7 -41.37 90.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.417 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.1 -37.33 21.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 1.5 m -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.599 HD11 ' HE2' ' A' ' 160' ' ' MET . 2.3 mt -69.95 -52.61 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.982 HD21 HD12 ' A' ' 94' ' ' LEU . 1.5 mt -49.61 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' HG13 ' A' ' 102' ' ' VAL . 26.4 p -46.49 -48.34 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.754 ' CE2' ' O ' ' A' ' 160' ' ' MET . 27.1 t80 -60.7 -18.25 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 32.3 m-70 -92.71 20.97 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -159.03 127.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 118' ' ' THR . 34.8 t -106.33 158.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.827 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -102.95 95.51 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.07 96.56 0.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 123.42 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.427 ' HB ' HG13 ' A' ' 112' ' ' VAL . 10.8 m -135.24 145.8 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.596 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 51.5 p -80.42 160.37 67.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 45.88 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.32 18.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 113' ' ' VAL . 11.4 m120 -151.9 -51.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -31.31 -37.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.922 HG13 ' HA ' ' A' ' 127' ' ' THR . 52.1 t -49.01 124.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 129.83 177.83 15.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.2 m -68.35 81.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.348 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.53 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -83.23 -178.6 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.535 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.9 tt0 -135.57 117.95 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.89 ' HA ' HG22 ' A' ' 103' ' ' VAL . 14.5 p -88.88 169.11 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 104' ' ' ALA . 14.0 mt -50.09 -54.46 20.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -38.64 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 104.5 -17.02 47.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.68 143.79 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 m -76.5 129.68 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.6 p -103.93 100.35 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.2 m -69.26 92.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.645 HG13 HG22 ' A' ' 135' ' ' VAL . 18.4 t -87.15 153.83 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.922 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -151.85 177.67 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 179.955 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 7.5 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.4 ' HB2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -129.95 155.43 46.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.653 ' CG1' HD21 ' A' ' 159' ' ' LEU . 6.5 t -143.39 115.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.98 -81.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 135' ' ' VAL . 3.6 t30 -146.21 19.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -117.39 -179.41 3.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.92 117.47 24.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 43.9 t -55.61 119.06 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.715 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -87.89 -46.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.458 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.4 t -155.42 103.57 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.22 160.72 13.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.41 18.97 54.19 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.813 HG13 HG22 ' A' ' 22' ' ' VAL . 1.7 t -90.54 56.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 48.4 m -44.71 133.45 5.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.575 HG22 ' SD ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -99.15 -104.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -103.75 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -132.51 42.03 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -174.14 149.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.985 ' HB ' HG23 ' A' ' 67' ' ' THR . 95.9 m -87.31 174.52 8.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.506 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -136.99 128.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.585 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 79.8 m-85 -137.47 88.22 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.487 ' O ' ' HA ' ' A' ' 140' ' ' VAL . 3.9 mtm -60.5 150.11 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.803 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -142.46 178.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.43 35.12 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.74 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -160.79 147.15 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' ' N ' ' A' ' 160' ' ' MET . 85.7 t -75.47 16.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.653 HD21 ' CG1' ' A' ' 135' ' ' VAL . 0.3 OUTLIER 47.07 -81.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.754 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.7 mtp 77.07 139.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.422 ' HD3' HG13 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.958 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 22' ' ' VAL . 1.3 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.836 HG12 ' O ' ' A' ' 143' ' ' GLY . 8.6 p -141.92 175.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.511 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 82.6 151.25 9.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.582 1.176 . . . . 0.0 111.036 169.308 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.72 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.52 -46.24 4.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' SG ' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -39.88 -30.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -75.41 -73.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -53.31 -57.57 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 74.2 t80 -41.19 -63.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.59 -51.76 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.04 -46.77 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.6 -50.31 32.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -117.26 82.01 14.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.9 p -131.45 159.41 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.25 -178.1 16.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.96 21.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -84.45 -32.95 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.48 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.718 ' HB ' HG13 ' A' ' 145' ' ' VAL . 8.4 m -90.44 36.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -150.7 -61.15 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.15 -31.63 11.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.778 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.7 ptp -66.25 -10.1 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 4.4 t -68.99 -38.67 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -69.64 -5.22 23.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.527 ' CG ' HG12 ' A' ' 32' ' ' VAL . 58.5 m-20 -103.89 146.77 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 96.87 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.807 HG11 ' O ' ' A' ' 61' ' ' LEU . 7.3 p 30.55 -118.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.733 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -10.04 -71.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 63.5 t -30.69 -63.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.15 -64.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.579 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -49.84 -49.44 49.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.951 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -51.44 -30.88 21.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.045 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 8.2 m-80 -82.49 -29.01 30.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -63.67 127.73 91.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 172.796 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.0 10.83 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.735 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.51 -18.99 7.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.047 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.27 -9.44 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 37' ' ' ASN . 82.6 p -36.69 -40.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -69.4 -49.78 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.901 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.4 OUTLIER -46.67 -64.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.951 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -47.94 -61.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.33 -42.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.02 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD12 ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -60.5 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.529 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -35.0 -56.64 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.51 -20.4 3.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.39 -23.32 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -108.56 -49.59 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.891 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.79 91.28 21.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.03 15.37 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.452 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.7 mt-30 -117.98 4.92 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.891 HG12 ' HB2' ' A' ' 52' ' ' ASN . 6.3 p -153.01 150.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.592 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 8.8 p-10 -150.19 121.14 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.646 HD21 HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -125.14 4.82 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.767 ' CG2' HD12 ' A' ' 47' ' ' LEU . 6.6 t -74.19 -32.81 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -87.12 -7.58 57.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 m -101.44 -40.59 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.043 HD22 HG21 ' A' ' 102' ' ' VAL . 16.9 mt -69.23 -20.48 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 31.3 p-10 -90.4 42.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -164.15 108.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.12 147.99 21.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -67.32 102.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.1 m-30 -113.25 -176.23 2.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.98 HG23 ' HB ' ' A' ' 151' ' ' THR . 21.4 m -145.91 87.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.883 HG12 ' HB2' ' A' ' 70' ' ' ALA . 18.5 t -51.08 134.91 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.448 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.6 m-85 -124.81 63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.883 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.99 129.46 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -138.504 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.901 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.0 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 155' ' ' ILE . 77.1 p -55.47 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -79.96 -28.6 39.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.29 -10.03 59.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.48 -75.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 71.3 m-85 -47.08 -25.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.6 t -68.18 -49.33 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -46.38 -50.69 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.707 HD11 ' HB ' ' A' ' 158' ' ' VAL . 32.1 mt -59.67 150.02 68.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.0 160.76 39.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.6 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.8 p -47.72 -47.33 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -46.36 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.2 mm -63.61 -47.63 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -16.85 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.76 -46.34 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' HB3' HD13 ' A' ' 94' ' ' LEU . 6.6 mt -61.72 -20.43 63.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -86.41 12.31 10.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 t -162.2 36.37 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.56 ' ND2' HD23 ' A' ' 93' ' ' LEU . 88.0 m-20 -114.13 -91.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.9 OUTLIER 82.35 -11.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -116.45 -12.46 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -123.94 -41.54 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -66.08 -40.5 90.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 96' ' ' SER . 12.1 t -45.15 -52.2 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -49.53 -44.09 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.943 HG22 HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.0 -64.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 94' ' ' LEU . 1.5 mt -44.77 -61.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.646 HG22 HD21 ' A' ' 57' ' ' LEU . 21.8 p -51.57 -47.97 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.643 ' CE2' ' O ' ' A' ' 160' ' ' MET . 53.4 t80 -60.77 -17.6 50.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.721 ' CE1' HD11 ' A' ' 155' ' ' ILE . 15.7 m-70 -92.86 24.47 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.043 HG21 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -158.87 126.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.884 HG22 ' HA ' ' A' ' 118' ' ' THR . 3.7 t -102.71 164.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.519 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -123.67 109.71 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 157.65 -42.41 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.439 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 76.6 116.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.966 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 4.8 m -154.08 134.68 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.423 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.3 p -60.86 169.29 2.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.31 -10.31 28.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 4.0 m120 -124.99 -42.6 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.811 HG13 HG11 ' A' ' 126' ' ' VAL . 0.6 OUTLIER -38.65 -31.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.513 HG13 ' HA ' ' A' ' 127' ' ' THR . 73.7 t -47.96 137.34 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.22 -171.19 24.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 m -70.56 127.73 33.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.736 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.9 tpm_? -128.83 133.2 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.461 ' HB3' HH21 ' A' ' 116' ' ' ARG . 56.4 tt0 -75.4 118.45 18.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.884 ' HA ' HG22 ' A' ' 103' ' ' VAL . 22.8 p -77.95 161.71 27.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 1.031 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -65.1 -25.7 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 1.031 ' N ' HD23 ' A' ' 119' ' ' LEU . 27.3 tp60 -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.92 5.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -67.51 -179.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 p -115.53 149.29 38.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.1 p -123.11 127.6 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.7 m -84.84 98.15 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.811 HG11 HG13 ' A' ' 112' ' ' VAL . 10.0 t -92.59 163.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.538 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -158.54 169.99 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.442 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 5.7 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.1 OUTLIER -128.7 157.06 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.748 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -154.25 123.97 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 40.0 42.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.4 t-20 89.06 -40.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.582 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -51.54 173.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -118.64 117.33 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.02 99.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.72 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.77 -56.92 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.4 t -153.04 108.03 3.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.836 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -114.11 171.11 13.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.04 77.41 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.718 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.0 t -88.34 58.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 35.0 m -41.72 111.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.596 HG21 ' CB ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -81.39 -98.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -110.04 -89.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.7 p30 -106.54 38.53 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.506 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -176.92 152.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.98 ' HB ' HG23 ' A' ' 67' ' ' THR . 90.9 m -84.49 174.11 10.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.511 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -134.82 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.598 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 74.1 m-85 -136.35 84.99 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.68 ' HG2' HD11 ' A' ' 40' ' ' LEU . 14.1 mtm -64.32 139.24 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.721 HD11 ' CE1' ' A' ' 101' ' ' HIS . 6.1 pt -127.51 179.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.53 39.02 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -164.45 143.24 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.707 ' HB ' HD11 ' A' ' 79' ' ' LEU . 41.2 t -77.39 65.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -31.03 143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.643 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -134.27 147.86 65.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 162' ' ' PRO . 18.2 Cg_endo -75.02 130.23 13.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 3.0 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.442 HG11 ' CG ' ' A' ' 109' ' ' PRO . 2.7 p -130.25 148.96 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.81 151.82 27.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -167.062 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.98 -66.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.732 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -36.47 -36.0 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -39.92 -30.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -90.31 -65.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 3.7 mm-40 -44.26 -45.86 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.756 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 63.7 t80 -53.82 -64.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -42.1 -47.56 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -40.71 -29.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -96.73 -38.86 9.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' ALA . 12.8 m-80 -126.21 84.76 61.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -33.94 4.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 p -137.23 -165.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 -174.95 49.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.903 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -96.12 46.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.0 p -127.22 -171.65 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.984 HG13 HG13 ' A' ' 145' ' ' VAL . 24.7 t -79.16 -40.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -34.01 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.47 -48.32 85.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.767 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 13.2 ptp -62.03 -12.49 19.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -65.47 -50.16 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.23 -15.05 5.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' CG ' HG12 ' A' ' 32' ' ' VAL . 70.7 m-20 -94.99 142.58 24.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.95 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.718 HG13 ' H ' ' A' ' 31' ' ' ALA . 9.0 p 31.8 -121.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.718 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.9 -70.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.632 HG12 ' CG ' ' A' ' 28' ' ' ASP . 76.5 t -30.65 -63.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.13 -57.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -59.97 -51.48 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 32' ' ' VAL . 43.0 t -41.15 -27.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 6.8 m120 -138.79 35.28 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.756 ' ND2' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -85.83 134.73 38.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 128.82 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.903 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 6.95 3.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.829 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.19 -19.13 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -107.51 -11.39 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -40.0 -36.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.669 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 10.5 t -70.61 -46.99 62.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.877 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -54.4 -56.99 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.609 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -48.75 -59.48 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.59 ' N ' HG22 ' A' ' 44' ' ' THR . . . -38.83 -39.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.42 -69.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -51.08 -62.66 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -39.49 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 151.16 -20.31 0.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.534 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.2 mt-30 -38.8 -48.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.67 52.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -132.76 121.85 17.35 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 28.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -129.42 3.92 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 47' ' ' LEU . 11.4 t -125.17 146.56 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.5 p30 -164.05 102.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 99' ' ' THR . 12.8 mt -114.13 -34.22 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.732 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.9 p -33.59 -63.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.732 ' H ' HG13 ' A' ' 58' ' ' VAL . 7.3 m-20 -40.88 -51.44 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.3 m -63.15 -60.7 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 31' ' ' ALA . 11.5 mt -33.4 -48.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.6 OUTLIER -81.13 52.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' THR . 37.3 m -118.67 -92.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.58 170.9 23.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.7 mt-30 -54.1 108.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 6.9 m-30 -113.62 -175.26 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.967 HG23 ' HB ' ' A' ' 151' ' ' THR . 26.3 m -147.16 86.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.807 HG12 ' HB2' ' A' ' 70' ' ' ALA . 12.9 t -50.82 137.72 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.9 m-85 -131.34 59.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.807 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.08 134.03 26.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -137.639 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.877 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 103.46 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.592 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 45.9 p -56.26 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 2.2 p30 -72.26 -50.22 28.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.57 41.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.709 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -79.56 -45.55 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.74 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 32.9 m-85 -82.63 -40.64 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -56.31 -31.0 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -58.07 -48.5 79.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.726 HD11 ' HB ' ' A' ' 158' ' ' VAL . 58.2 mt -62.05 149.82 85.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.12 28.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.68 -44.43 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 p -46.1 -48.33 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.574 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.89 -49.72 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.34 -37.55 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -21.24 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 4.4 tp10 -82.16 -41.55 20.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 87' ' ' LEU . 4.7 mt -63.02 -13.28 33.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.425 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 17.3 mttt -93.69 11.19 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.9 t -145.02 15.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 9.3 m-20 -116.64 -155.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.3 t 168.56 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.8 -23.56 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -92.31 -48.26 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.045 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -63.68 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.3 m -54.03 -50.56 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.5 m -48.9 -40.46 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.854 HG22 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -62.35 -58.29 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.045 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.57 -56.32 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.862 HG22 HD11 ' A' ' 119' ' ' LEU . 1.5 p -48.87 -50.35 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.783 ' CE1' HG13 ' A' ' 124' ' ' VAL . 1.2 t80 -60.67 -17.01 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.739 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.6 m-70 -91.92 25.81 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.56 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -162.6 132.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 117' ' ' GLN . 43.1 t -114.42 128.2 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.23 113.42 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 154.78 -44.2 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.527 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.4 OUTLIER 78.63 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.3 m -157.79 130.39 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 p -60.52 167.12 3.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.442 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.01 50.06 2.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -136.56 -46.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -97.35 -24.31 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.438 HG13 HG11 ' A' ' 126' ' ' VAL . 4.0 p -52.77 -21.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 110' ' ' ALA . 14.6 p -69.95 150.55 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.43 -147.42 16.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.1 m -94.28 86.36 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.372 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.551 ' CB ' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -82.75 169.61 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.782 ' O ' HG13 ' A' ' 103' ' ' VAL . 26.3 tt0 -129.6 126.65 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.862 HG23 HG22 ' A' ' 124' ' ' VAL . 58.0 p -93.39 166.22 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.862 HD11 HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -63.61 -27.66 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.526 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.7 tp60 -66.28 -26.56 67.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.62 -51.96 0.71 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.539 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -48.21 153.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -90.12 148.46 22.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -110.14 96.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 125' ' ' THR . 4.2 m -65.81 76.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 135' ' ' VAL . 26.0 t -75.09 147.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.863 ' O ' HD23 ' A' ' 133' ' ' LEU . 46.2 m -146.5 176.77 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.567 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 127' ' ' THR . 6.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.549 ' O ' HG23 ' A' ' 135' ' ' VAL . 3.7 mttm -130.42 165.94 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -163.84 115.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.36 40.47 30.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 86.68 -22.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -72.14 169.89 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.5 m-20 -118.51 121.29 39.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 133' ' ' LEU . 95.0 t -60.62 87.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.732 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.5 t -55.16 -56.62 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 145' ' ' VAL . 36.2 t -148.62 103.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 108.332 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.76 167.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.01 24.58 63.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.984 HG13 HG13 ' A' ' 22' ' ' VAL . 4.3 t -98.51 51.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.5 m -36.84 115.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.747 HG23 HG21 ' A' ' 152' ' ' VAL . 1.2 p -79.79 -100.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -103.27 -78.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -122.72 44.2 2.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.14 135.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.967 ' HB ' HG23 ' A' ' 67' ' ' THR . 6.8 m -63.16 175.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.747 HG21 HG23 ' A' ' 147' ' ' THR . 2.1 t -139.85 124.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.562 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 89.9 m-85 -137.13 88.32 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.65 ' HG2' HD11 ' A' ' 40' ' ' LEU . 16.2 mtm -70.61 114.47 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.735 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.2 pp -105.76 173.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 156' ' ' ASP . 34.6 p-10 -115.52 51.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 157' ' ' SER . . . . . 0.744 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.4 m -170.58 132.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.726 ' HB ' HD11 ' A' ' 79' ' ' LEU . 72.3 t -74.02 70.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.781 HD11 ' CG1' ' A' ' 135' ' ' VAL . 34.2 mt -34.58 125.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 158' ' ' VAL . 2.9 mtp -122.05 140.52 32.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 161' ' ' PRO . . . . . 0.556 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.32 11.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 162' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -136.27 153.27 51.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 3' ' ' LEU . 2.8 mm? -80.89 -173.7 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.679 HG21 ' CB ' ' A' ' 109' ' ' PRO . 16.6 m -124.18 142.44 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.22 154.4 11.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.2 Cg_endo -75.03 -57.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.718 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -47.76 -46.64 24.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.39 -30.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -68.23 -73.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 2.3 mm-40 -54.14 -45.61 72.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 43.9 t80 -35.87 -65.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.92 -53.31 10.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.41 -39.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.09 -48.28 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -126.83 79.29 72.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.99 -31.86 5.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.422 ' C ' ' OG ' ' A' ' 21' ' ' SER . 71.9 p -137.02 176.3 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.17 -173.04 20.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HB2' ' CG ' ' A' ' 36' ' ' ASN . 18.4 Cg_endo -75.01 -18.64 18.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.858 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -90.05 23.34 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.488 ' O ' ' HE3' ' A' ' 25' ' ' MET . 0.7 OUTLIER -106.82 171.93 7.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HB ' HG13 ' A' ' 145' ' ' VAL . 2.8 m -68.65 -31.53 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -87.34 -39.48 15.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.9 73.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.488 ' HE3' ' O ' ' A' ' 21' ' ' SER . 22.5 ptp -66.52 -10.19 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.452 ' HA ' ' C ' ' A' ' 147' ' ' THR . 5.3 t -75.49 -53.53 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.64 -16.93 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -111.19 160.39 29.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.96 154.27 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 3.1 p -30.7 -44.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -55.98 -97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.9 t -38.78 -33.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.556 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -54.05 -50.73 66.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.33 -8.66 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.742 ' OG ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.7 26.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 31.3 m-80 -136.49 -39.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 1.054 ' O ' HG23 ' A' ' 41' ' ' THR . 0.2 OUTLIER -45.08 129.58 5.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 172.245 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.858 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 6.1 3.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -123.64 -2.18 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD22 ' HB1' ' A' ' 70' ' ' ALA . 22.8 mt -114.02 -33.23 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.054 HG23 ' O ' ' A' ' 37' ' ' ASN . 23.2 p -34.58 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.59 -55.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.907 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.18 -52.75 64.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.742 HG21 ' OG ' ' A' ' 35' ' ' SER . 60.3 m -47.7 -56.72 6.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.48 -38.36 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.09 -71.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.907 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.76 -61.95 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.841 ' HA ' HG23 ' A' ' 58' ' ' VAL . 11.4 p -43.41 -63.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 147.61 -24.36 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.95 -44.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -51.93 9.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.643 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -116.11 110.28 43.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 17.54 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.27 8.6 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 56' ' ' ASN . 2.2 t -132.2 160.17 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 4.7 p30 -169.73 110.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.09 8.48 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.841 HG23 ' HA ' ' A' ' 48' ' ' SER . 3.5 t -66.84 -39.63 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.91 -45.53 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . 20.3 m -64.31 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD22 HG11 ' A' ' 102' ' ' VAL . 5.0 mt -38.99 -43.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -85.46 52.52 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 t -163.16 110.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 82.01 140.07 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.7 mt-30 -50.46 109.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 0.725 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 5.8 m-30 -112.97 -175.53 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 151' ' ' THR . 86.8 m -152.16 87.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.788 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.4 t -51.79 140.07 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.574 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.7 m-85 -131.25 67.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.788 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.7 130.1 29.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -138.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.877 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 108.68 2.77 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 155' ' ' ILE . 54.9 p -53.5 175.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -69.0 -11.95 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.69 -19.1 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.717 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 55.8 m-85 -63.17 -47.74 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -44.42 -54.57 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.951 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 4.6 mtmp? -40.37 -46.39 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 158' ' ' VAL . 12.0 mt -61.5 149.21 84.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.415 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.97 155.64 43.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.64 -53.3 56.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 p -39.68 -44.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.77 -51.37 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 110.417 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.14 -51.08 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -21.04 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.847 ' HG3' HD22 ' A' ' 90' ' ' ASN . 8.0 tp10 -81.74 -44.49 16.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 87' ' ' LEU . 5.9 mt -66.19 -8.71 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -90.57 25.06 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.5 t -160.87 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.847 HD22 ' HG3' ' A' ' 86' ' ' GLU . 2.8 m120 -55.79 168.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 p -159.48 26.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.86 -44.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -80.95 -26.96 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.938 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.74 -46.59 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.44 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.6 t -55.13 -45.68 75.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.44 ' C ' ' HG3' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -50.35 -39.72 47.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.935 HG22 HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.14 -57.41 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.938 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.93 -61.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.896 HG22 HD11 ' A' ' 119' ' ' LEU . 2.6 p -46.22 -48.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.1 t80 -61.43 -21.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.692 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.4 m-70 -89.42 24.39 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.94 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.3 t -153.32 149.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.999 HG13 ' O ' ' A' ' 117' ' ' GLN . 92.6 t -134.17 131.16 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.08 109.71 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 161.8 -49.2 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.572 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.5 OUTLIER 77.58 120.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.0 m -157.26 128.4 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -52.88 165.77 0.54 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.679 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.1 Cg_endo -75.05 52.42 3.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 -45.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 113' ' ' VAL . 5.4 m-20 -98.67 -29.97 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -40.8 -29.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.1 p -60.37 143.83 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.95 178.5 23.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.4 m -71.48 101.79 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -99.8 -170.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.999 ' O ' HG13 ' A' ' 103' ' ' VAL . 15.5 tt0 -129.85 131.4 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.473 ' HA ' HG22 ' A' ' 103' ' ' VAL . 71.7 p -97.21 145.34 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.94 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -39.69 -30.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.445 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -55.51 -59.6 4.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.3 -24.62 1.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.16 174.36 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.3 m -100.4 142.64 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.5 p -112.88 104.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -68.59 96.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.74 HG13 ' CG2' ' A' ' 135' ' ' VAL . 17.5 t -91.54 153.39 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.701 ' HA ' HG23 ' A' ' 113' ' ' VAL . 20.9 m -146.58 175.79 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 127' ' ' THR . . . 132.52 162.28 10.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -136.16 -75.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -125.31 -82.91 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -91.96 40.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 t -164.37 136.67 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 127' ' ' THR . 6.1 mt -150.64 126.05 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 135' ' ' VAL . 6.8 mtpt -123.31 164.4 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.867 HG12 HD11 ' A' ' 159' ' ' LEU . 2.2 t -156.28 121.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 50.16 38.84 33.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.3 t-20 84.25 -14.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.682 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -74.87 -178.79 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 6.5 m-20 -124.87 109.38 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 154' ' ' MET . 46.6 t -55.5 98.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.718 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.9 t -63.06 -60.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.69 106.19 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.0 161.97 12.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.04 24.46 44.59 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.613 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.4 t -96.21 65.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 13.1 m -53.7 127.65 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.556 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 7.2 p -87.63 -105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -109.2 -44.24 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.456 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -150.98 38.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.544 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -172.13 141.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.951 ' HB ' HG23 ' A' ' 67' ' ' THR . 26.2 m -83.07 170.91 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -136.03 131.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.6 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 88.6 m-85 -140.51 87.42 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -64.22 146.88 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -135.78 -179.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -121.33 36.97 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.411 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -159.48 134.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 158' ' ' VAL . 70.7 t -75.17 72.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.867 HD11 HG12 ' A' ' 135' ' ' VAL . 22.9 mt -33.24 148.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.724 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.9 mtp -139.61 144.37 39.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.44 ' HG3' ' C ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.593 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 18.4 Cg_endo -74.96 65.54 6.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 162' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.62 169.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.56 -178.31 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.37 141.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.21 160.3 11.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.534 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -49.31 -30.72 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.5 -28.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.73 -70.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 9.6 mm-40 -43.78 -47.85 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' ALA . 71.5 t80 -43.44 -63.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.06 -52.62 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -44.67 -35.31 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.95 -42.63 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -130.72 78.25 74.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -30.68 6.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.7 p -129.5 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.21 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.37 20.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.905 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.53 14.71 14.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.496 ' O ' ' HE3' ' A' ' 25' ' ' MET . 61.2 p -93.06 165.47 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG12 HG13 ' A' ' 145' ' ' VAL . 18.9 m -62.83 -31.04 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -98.26 -48.59 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -52.06 -21.81 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.682 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.2 ptp -91.68 -17.09 26.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -61.66 -36.56 81.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.84 -12.35 61.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 m-20 -97.85 144.13 27.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.754 HG13 ' H ' ' A' ' 31' ' ' ALA . 3.3 p 28.65 -109.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.754 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -11.45 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 78.9 t -40.81 -66.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.89 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -64.91 -58.39 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.911 ' O ' HG22 ' A' ' 41' ' ' THR . 7.5 t -44.65 -26.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' ALA . 16.6 m120 -80.11 -49.34 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 1.029 ' O ' HG23 ' A' ' 41' ' ' THR . 5.0 t-20 -52.72 130.38 46.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.905 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 3.48 5.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.658 ' HA ' HD22 ' A' ' 73' ' ' ASN . 2.5 mm-40 -121.39 -3.84 9.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.589 HD22 ' HB1' ' A' ' 70' ' ' ALA . 17.1 mt -116.64 -32.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.029 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.2 p -32.64 -39.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.7 m -63.37 -58.41 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.941 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.12 -43.2 87.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.777 HG21 ' CB ' ' A' ' 35' ' ' SER . 90.4 m -48.45 -58.7 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -40.16 -35.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.29 -71.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.9 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.32 -62.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.256 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.992 ' HA ' HG23 ' A' ' 58' ' ' VAL . 23.6 p -43.56 -53.11 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.591 ' HA2' HG23 ' A' ' 55' ' ' VAL . . . 132.91 -21.18 4.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLY . 21.7 mt-30 -37.79 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -82.32 -53.06 6.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.654 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.4 t30 -119.1 129.42 25.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.79 -5.34 10.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.796 HG11 HD21 ' A' ' 94' ' ' LEU . 5.5 m -111.66 137.6 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 48' ' ' SER . 8.1 p30 -159.61 119.23 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 17.5 mt -128.17 14.08 6.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.992 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.5 t -67.74 -59.14 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 -39.2 89.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 m -64.12 -69.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.701 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.6 mt -37.98 -38.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -85.89 51.04 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.519 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -166.26 109.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 152.9 26.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -69.64 108.59 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.2 m-30 -113.8 -173.25 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.016 HG23 ' HB ' ' A' ' 151' ' ' THR . 35.9 m -151.54 87.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 70' ' ' ALA . 58.9 t -51.53 134.7 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.586 ' O ' HD11 ' A' ' 155' ' ' ILE . 10.0 m-85 -125.43 67.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.766 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.1 127.24 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -139.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.941 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.5 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 155' ' ' ILE . 35.9 p -62.57 -179.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.658 HD22 ' HA ' ' A' ' 39' ' ' GLU . 1.4 m120 -66.77 -38.14 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.45 -9.47 58.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -80.17 -47.98 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 53.5 m-85 -77.97 -45.94 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -48.43 -23.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 5.5 mtmt -63.37 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 158' ' ' VAL . 22.6 mt -79.68 147.95 68.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -75.03 140.0 24.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.45 -30.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' PRO . 48.0 p -56.76 -55.29 36.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.48 -45.77 84.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 86' ' ' GLU . 29.2 mm -62.19 -56.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.57 -26.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 89' ' ' THR . 5.1 tp10 -78.7 -50.31 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.7 mt -54.96 -19.31 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -86.46 7.03 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.8 t -141.66 10.17 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.602 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -118.82 153.73 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -144.91 23.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.35 -45.62 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -79.6 -30.38 41.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.104 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.36 -43.04 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 99' ' ' THR . 0.6 OUTLIER -54.14 -43.82 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.582 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.3 m -53.57 -39.59 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 98' ' ' LEU . 2.4 mt -65.42 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.104 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -44.67 -62.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.6 p -43.59 -51.54 6.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CD1' HG21 ' A' ' 118' ' ' THR . 1.2 t80 -56.99 -22.47 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.747 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 47.8 m-70 -90.62 24.32 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -162.58 111.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 117' ' ' GLN . 54.3 t -94.7 149.6 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.722 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -91.41 96.92 10.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.44 106.16 0.71 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 132.25 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.409 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 17.5 m -150.88 133.9 15.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.21 165.4 28.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.92 50.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.83 -46.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.7 m-20 -96.27 -28.5 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.778 HG13 HG11 ' A' ' 126' ' ' VAL . 0.5 OUTLIER -46.3 -25.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 127' ' ' THR . 85.7 t -62.2 133.31 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.21 -174.91 15.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 123' ' ' SER . 95.2 m -73.6 104.3 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.5 tpm_? -105.52 147.07 28.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.864 ' O ' HG13 ' A' ' 103' ' ' VAL . 10.2 tt0 -94.25 127.28 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.805 ' CG2' HG22 ' A' ' 124' ' ' VAL . 9.4 p -101.27 165.99 11.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 104' ' ' ALA . 21.0 mt -48.89 -54.04 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.575 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 16.0 tp60 -49.26 -31.93 9.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.29 -41.12 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.527 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -50.52 150.72 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.559 ' HB2' HG23 ' A' ' 115' ' ' THR . 17.6 p -86.93 158.92 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.805 HG22 ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -124.37 102.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.4 m -69.8 73.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.778 HG11 HG13 ' A' ' 112' ' ' VAL . 3.2 t -72.32 145.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.58 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -156.47 -174.96 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.714 ' HA3' HD22 ' A' ' 133' ' ' LEU . . . 132.47 -95.43 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 21.7 tt0 90.45 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.2 -99.89 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 132' ' ' SER . 9.2 m120 -136.46 140.3 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.8 m 85.92 42.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.714 HD22 ' HA3' ' A' ' 128' ' ' GLY . 4.1 mt -45.11 168.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.6 mttt -134.88 154.38 51.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.723 HG22 HG22 ' A' ' 126' ' ' VAL . 1.8 t -149.11 122.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 42.87 45.64 5.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.7 t-20 88.05 -39.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.829 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -51.97 171.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.4 m-20 -120.7 116.95 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 133' ' ' LEU . 77.4 t -58.26 113.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 72' ' ' THR . 2.3 t -85.99 -47.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 27.4 t -160.48 106.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.43 176.14 18.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.57 20.19 79.41 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.594 HG13 HG12 ' A' ' 22' ' ' VAL . 1.5 t -87.93 52.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.4 m -43.33 128.67 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.57 HG21 ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -96.98 -99.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -104.94 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 4.5 p30 -127.86 37.87 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -168.5 138.89 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . 1.016 ' HB ' HG23 ' A' ' 67' ' ' THR . 30.7 m -78.11 174.23 11.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.554 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -138.99 129.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.9 m-85 -137.69 89.59 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.563 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.44 142.06 57.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.829 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.4 OUTLIER -134.56 -178.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.47 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 1.7 p-10 -118.38 39.21 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -171.38 136.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 158' ' ' VAL . 1.5 m -78.59 71.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.687 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -22.52 135.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.36 140.67 38.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.582 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.05 121.56 6.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.527 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.0 64.88 6.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 3' ' ' LEU . 9.7 t0 -140.3 78.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 2' ' ' ASP . 2.7 mm? -121.79 -172.43 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.616 HG11 ' CB ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -117.94 172.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 72.05 155.29 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -163.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -63.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.26 -36.87 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.7 -40.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.91 -73.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 30.6 mt-10 -40.75 -43.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CE1' ' ND2' ' A' ' 15' ' ' ASN . 45.0 t80 -49.08 -64.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.62 -49.88 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.27 -46.9 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -77.43 -53.53 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 11' ' ' TYR . 2.3 m-80 -118.12 81.76 16.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.06 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -111.78 -153.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.7 43.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 18.2 Cg_endo -75.04 -8.0 19.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.852 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -82.54 -22.32 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 p -59.07 168.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.978 HG13 HG13 ' A' ' 145' ' ' VAL . 42.6 t -67.18 -29.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.1 -46.33 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 19' ' ' PRO . . . -47.93 -46.3 25.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.606 ' SD ' HG12 ' A' ' 145' ' ' VAL . 10.4 ptp -70.56 -11.62 61.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 147' ' ' THR . 7.0 m -76.68 -26.52 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.22 -16.1 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.66 165.96 12.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 150.92 38.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.8 p -30.51 -48.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.708 ' HB1' HG13 ' A' ' 58' ' ' VAL . . . -50.29 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' SER . 21.9 t -35.81 -44.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.32 -54.35 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -70.45 -22.88 62.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.77 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.77 20.72 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -126.05 -41.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.822 ' O ' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -55.41 130.77 70.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 174.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 3.47 5.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.773 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.55 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -117.44 -9.82 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.722 HD21 ' HG3' ' A' ' 154' ' ' MET . 63.4 mt -105.7 -29.05 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.47 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -69.14 -55.03 11.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.852 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.68 -52.52 60.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.77 HG21 ' CB ' ' A' ' 35' ' ' SER . 85.5 m -46.44 -57.01 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.96 -39.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.84 -69.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.812 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.98 -63.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.666 ' HA ' HG23 ' A' ' 58' ' ' VAL . 96.5 p -42.39 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.51 -20.79 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 6.5 mt-30 -43.59 -25.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -109.08 -44.09 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.874 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.36 92.48 23.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 26.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -130.66 4.61 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.874 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.6 p -150.98 153.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 7.8 p30 -152.92 108.09 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 12.91 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.708 HG13 ' HB1' ' A' ' 31' ' ' ALA . 4.7 t -78.7 -27.64 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -83.44 -19.56 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.2 m -94.94 -62.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 102' ' ' VAL . 3.1 mt -37.64 -43.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -80.41 53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.08 110.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 86.8 138.02 5.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -50.77 105.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.589 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.3 m-30 -112.71 -174.63 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.973 HG23 ' HB ' ' A' ' 151' ' ' THR . 80.8 m -153.14 89.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.839 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.6 t -53.03 142.86 5.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.1 m-85 -133.61 73.68 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.839 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -108.27 125.43 31.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -136.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.861 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 125.7 9.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 37.9 p -67.03 -173.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.55 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 8.7 m-20 -77.33 -2.18 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -106.46 -20.9 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -72.58 -37.01 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.861 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 39.2 m-85 -82.93 -24.68 32.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -24.08 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.1 mtmp? -70.69 -10.2 58.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.013 HD12 HD11 ' A' ' 84' ' ' ILE . 11.4 mt -75.31 163.35 68.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 80' ' ' PRO . . . 72.27 -59.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.13 -47.5 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.445 ' CG2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -51.52 -41.78 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.013 HD11 HD12 ' A' ' 79' ' ' LEU . 18.6 mm -63.18 -47.09 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.41 -16.47 9.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -90.47 -44.34 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 7.2 mt -55.75 -19.02 9.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 89' ' ' THR . 6.1 mtmt -84.2 7.81 17.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 88' ' ' LYS . 3.2 p -159.92 44.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.425 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.9 m-20 -122.63 -79.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 73.95 9.27 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -135.92 -44.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -89.46 -20.89 23.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.019 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -88.67 -44.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 t -47.17 -41.01 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.48 -42.61 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.659 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -64.41 -54.75 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.019 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.86 -59.77 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.671 HG22 HD11 ' A' ' 119' ' ' LEU . 12.8 p -50.6 -51.3 49.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.698 ' CE2' ' O ' ' A' ' 160' ' ' MET . 17.0 t80 -59.03 -18.01 30.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.672 ' NE2' ' O ' ' A' ' 158' ' ' VAL . 41.5 m-70 -90.27 24.0 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.977 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.7 t -153.25 145.81 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 117' ' ' GLN . 96.1 t -129.34 143.45 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.09 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.73 95.73 1.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.3 tt0 -53.4 127.25 24.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.452 ' HB ' HG13 ' A' ' 112' ' ' VAL . 23.5 m -139.59 138.36 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.0 p -74.04 163.99 64.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.98 45.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.59 19.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.525 ' O ' ' C ' ' A' ' 112' ' ' VAL . 34.0 m-20 -152.51 -51.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.35 -43.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.881 HG23 ' HA ' ' A' ' 127' ' ' THR . 2.4 p -40.91 127.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.19 170.7 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.9 m -65.94 81.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.536 ' HB2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -79.65 -175.6 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.647 ' O ' HG13 ' A' ' 103' ' ' VAL . 9.3 tt0 -137.02 118.68 14.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 102' ' ' VAL . 47.2 p -81.93 158.64 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.977 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -55.25 -25.31 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 120' ' ' GLN . 3.4 tp-100 -61.34 -38.67 87.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.64 -32.51 3.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.47 158.41 36.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.5 p -111.5 99.7 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.0 m -67.47 100.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.694 HG22 HG22 ' A' ' 135' ' ' VAL . 41.5 t -94.45 150.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.881 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -156.5 -175.95 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 145.45 -125.58 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.1 tp60 80.84 68.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.75 -112.38 0.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 132' ' ' SER . 6.1 m120 -141.76 57.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER 159.75 72.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.794 ' N ' HD23 ' A' ' 133' ' ' LEU . 1.1 mt -60.75 165.77 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 135' ' ' VAL . 4.7 mttt -134.41 155.48 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.092 HG12 HD21 ' A' ' 159' ' ' LEU . 1.9 t -152.98 128.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 39.27 42.15 1.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.587 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 8.4 t30 89.1 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.815 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -51.45 175.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.441 ' C ' HG22 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -124.19 120.26 31.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.733 HG21 ' HB2' ' A' ' 133' ' ' LEU . 73.8 t -55.98 137.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 154' ' ' MET . 3.4 t -115.99 -56.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.6 96.33 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.29 166.79 12.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.04 72.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.978 HG13 HG13 ' A' ' 22' ' ' VAL . 1.3 t -83.18 58.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 73.7 m -53.14 124.77 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 14.3 p -87.04 -108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.34 -47.31 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.8 p30 -152.4 40.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.61 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -171.31 133.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.973 ' HB ' HG23 ' A' ' 67' ' ' THR . 32.3 m -76.59 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.639 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -142.98 129.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -133.21 93.17 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.722 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -68.71 114.35 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 1.0 HD13 ' O ' ' A' ' 157' ' ' SER . 1.2 pp -109.06 166.94 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 15.4 p-10 -98.87 44.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' SER . . . . . 1.0 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.3 m -172.17 141.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.672 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -73.72 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.092 HD21 HG12 ' A' ' 135' ' ' VAL . 61.0 mt 47.97 -88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.698 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER 87.53 137.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 123.24 7.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 18.3 Cg_endo -74.99 73.93 4.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 162' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.54 ' C ' HD22 ' A' ' 3' ' ' LEU . 2.0 p30 177.75 139.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.589 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.9 mm? -109.07 -170.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.657 HG11 ' CG ' ' A' ' 109' ' ' PRO . 7.8 p -119.5 158.56 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 157.3 33.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -48.26 -42.3 24.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -32.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.26 -75.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -49.43 -51.76 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' O ' ' A' ' 20' ' ' ALA . 75.8 t80 -37.24 -65.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.75 -44.96 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -52.21 -43.39 64.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.65 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.89 79.28 32.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -62.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.7 p -121.09 110.09 15.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.71 -169.29 39.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -20.98 16.26 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.777 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -98.21 28.68 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 25' ' ' MET . 88.3 p -100.91 166.55 10.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.686 HG12 HG13 ' A' ' 145' ' ' VAL . 6.4 m -66.89 -12.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' SER . 37.2 tp60 -107.72 -58.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.94 -42.14 7.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.721 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.9 ptp -70.18 -25.31 63.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' GLN . 3.1 t -54.96 -55.57 29.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -51.97 -18.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.669 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -93.17 144.09 27.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 100.53 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.782 HG11 ' O ' ' A' ' 61' ' ' LEU . 4.3 p 27.58 -111.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.772 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -16.46 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.669 HG12 ' HB3' ' A' ' 28' ' ' ASP . 45.5 t -33.44 -51.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -47.21 -55.15 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -63.4 -12.35 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.711 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -84.26 16.32 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.426 ' OD1' ' OD2' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -134.42 -39.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.87 ' O ' HG23 ' A' ' 41' ' ' THR . 20.2 m-80 -49.42 129.97 18.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 171.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.777 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.0 4.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.616 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.51 -5.15 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.699 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 11.0 mt -117.09 -33.83 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.1 p -36.15 -36.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -67.37 -54.68 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.884 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -57.73 -47.73 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.711 HG21 ' CB ' ' A' ' 35' ' ' SER . 17.7 m -49.33 -61.14 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.14 -38.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.92 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.776 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.78 -60.53 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 p -40.68 -67.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.31 -22.41 0.57 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.555 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 1.3 mm-40 -40.52 -57.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 tp -62.72 -49.99 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -128.91 113.98 18.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 11.61 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.506 1.792 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.8 mt-30 -116.2 7.97 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.827 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.4 t -128.92 153.64 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 2.6 p30 -165.68 113.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 60' ' ' THR . 10.1 mt -121.67 -38.01 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.1 p -32.73 -65.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.727 ' H ' HG13 ' A' ' 58' ' ' VAL . 6.0 t0 -39.3 -46.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.0 m -70.28 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.782 ' O ' HG11 ' A' ' 30' ' ' VAL . 4.6 mt -39.05 -30.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' THR . 26.7 t30 -90.76 53.65 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -175.78 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 99.42 131.62 7.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.8 mt-30 -50.76 106.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.553 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 9.7 m-30 -113.94 -172.72 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.988 HG23 ' HB ' ' A' ' 151' ' ' THR . 46.7 m -153.42 86.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.796 HG12 ' HB2' ' A' ' 70' ' ' ALA . 58.9 t -51.52 135.56 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -125.1 67.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.796 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.29 129.94 33.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -139.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.884 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.5 Cg_endo -74.94 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 155' ' ' ILE . 67.1 p -56.15 169.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -62.17 -32.41 73.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.98 -19.65 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -75.08 -47.41 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.716 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 37.5 m-85 -67.81 -50.58 56.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -41.61 -53.76 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.0 mtmp? -37.94 -51.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' HB ' ' A' ' 158' ' ' VAL . 6.7 mt -58.26 146.66 70.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.417 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.99 138.69 23.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.22 -44.85 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -43.38 -47.27 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.81 -58.8 6.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 mm -48.82 -61.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.508 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -46.7 -39.83 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' A' ' 89' ' ' THR . 0.8 OUTLIER -62.32 -45.11 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.627 HD23 ' ND2' ' A' ' 90' ' ' ASN . 8.7 mt -53.45 -49.41 67.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CD ' ' HA ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -57.94 -9.87 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 86' ' ' GLU . 11.3 t -138.56 38.21 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.627 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.9 m-20 -119.59 -68.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER 69.95 -59.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 m -90.17 42.35 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -164.1 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.827 ' CD2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.86 -40.63 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.7 t -49.85 -44.46 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -52.82 -39.01 62.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.521 HG22 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -68.1 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -43.88 -62.5 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.524 HG23 HD11 ' A' ' 57' ' ' LEU . 12.6 p -48.33 -46.11 36.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.668 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.8 t80 -65.93 -12.3 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 14.1 m-70 -96.97 21.54 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.615 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -155.2 132.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 118' ' ' THR . 24.6 t -109.78 158.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -104.61 98.8 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.95 97.25 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.2 OUTLIER -57.6 125.83 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.424 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 21.7 m -146.5 128.49 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -59.43 165.67 3.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.657 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 50.93 2.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.88 -45.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.9 m120 -99.37 -27.96 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -21.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 127' ' ' THR . 95.3 t -74.22 137.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 -105.25 1.08 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.3 m -135.55 138.87 43.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -136.89 171.52 14.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -124.05 103.45 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.54 ' HA ' HG22 ' A' ' 103' ' ' VAL . 68.6 p -62.11 140.71 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.615 HD23 HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.73 -31.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.451 ' OE1' ' O ' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -54.47 -57.9 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.29 -24.11 1.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -80.21 158.85 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.2 m -93.14 138.1 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 116' ' ' ARG . 3.1 p -108.89 115.31 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -79.41 106.72 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 135' ' ' VAL . 28.1 t -97.85 160.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.618 ' HA ' HG13 ' A' ' 113' ' ' VAL . 13.7 m -154.98 174.89 14.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.508 ' H ' HG22 ' A' ' 127' ' ' THR . . . -155.92 130.47 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -150.29 53.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 132' ' ' SER . . . 101.65 -162.83 17.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.21 62.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER 173.72 65.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.625 ' HB2' HG21 ' A' ' 140' ' ' VAL . 4.6 mt -58.15 175.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 5.0 mtpt -133.2 151.26 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 126' ' ' VAL . 2.1 t -151.11 120.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.36 44.82 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.581 1.176 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t-20 87.43 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.738 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -54.2 173.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.35 113.76 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' A' ' 133' ' ' LEU . 75.6 t -55.46 126.71 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.62 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -99.88 -50.39 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 10.1 t -153.42 104.14 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.51 168.86 12.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.2 70.87 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.686 HG13 HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -88.33 58.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.7 m -50.06 118.88 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.721 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.3 p -86.13 -100.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -98.91 -76.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.7 p30 -127.42 35.0 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.569 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -163.56 136.53 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.988 ' HB ' HG23 ' A' ' 67' ' ' THR . 21.3 m -74.12 175.84 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.547 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -142.71 127.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.499 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -135.29 93.75 3.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.477 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.45 142.26 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 72' ' ' THR . 0.6 OUTLIER -135.0 166.83 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 8.5 p-10 -109.61 47.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.8 OUTLIER -170.87 140.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 158' ' ' VAL . 42.3 t -79.03 71.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.631 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -34.02 135.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.668 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.9 mtt -132.02 150.04 74.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.44 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.92 138.84 23.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -75.02 136.38 20.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.73 -176.61 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.579 HD11 HG11 ' A' ' 22' ' ' VAL . 2.5 mt -58.56 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 133' ' ' LEU . 7.3 p -141.42 163.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 90.64 152.02 27.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' C ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.98 -66.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.52 -26.69 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -39.74 -58.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -58.04 -71.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.1 mp0 -36.59 -50.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 89.4 t80 -64.72 -53.73 42.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.54 -29.9 7.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -81.12 -41.6 22.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.89 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 38.3 m-80 -122.11 76.25 41.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLY . 14.7 p -114.03 -19.85 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.62 172.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.63 20.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.89 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -95.22 -7.74 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.591 ' O ' ' HE3' ' A' ' 25' ' ' MET . 15.7 m -59.36 -165.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG22 HG13 ' A' ' 145' ' ' VAL . 16.2 t -83.23 -40.83 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.59 -36.15 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -46.38 92.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.79 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.3 ptp -63.16 -13.6 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 28' ' ' ASP . 7.4 t -63.61 -56.79 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -46.86 -22.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.649 ' CG ' HG12 ' A' ' 32' ' ' VAL . 73.6 m-20 -92.37 141.4 24.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 99.59 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.735 HG11 ' O ' ' A' ' 61' ' ' LEU . 9.6 p 31.45 -121.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.725 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.88 -70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG12 ' CG ' ' A' ' 28' ' ' ASP . 69.3 t -31.45 -62.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.79 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.05 -73.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.686 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -47.42 -42.03 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 1.059 ' N ' HG21 ' A' ' 44' ' ' THR . 1.8 t -56.75 -15.22 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.2 m-80 -111.14 -27.01 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.69 ' O ' HG23 ' A' ' 41' ' ' THR . 2.7 m120 -51.24 121.81 17.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 163.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 10.1 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.698 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.8 mt-10 -120.81 -19.22 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.07 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -105.37 -14.79 15.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -37.94 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.8 m -73.83 -54.4 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.945 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -52.92 -56.08 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.059 HG21 ' N ' ' A' ' 35' ' ' SER . 73.3 p -50.36 -55.05 17.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.43 -36.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.682 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -68.71 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.879 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -47.82 -60.08 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.623 ' HA ' HG12 ' A' ' 58' ' ' VAL . 1.4 t -42.16 -66.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.91 -22.78 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.659 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 28.2 mt-30 -37.92 -59.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -56.37 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -133.9 126.04 18.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 6.92 3.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.93 3.78 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 13.8 t -123.11 147.55 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.6 p30 -164.72 109.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -124.36 -43.96 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.763 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -16.79 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.763 ' N ' HG22 ' A' ' 58' ' ' VAL . 5.6 m-20 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.671 ' N ' ' O ' ' A' ' 57' ' ' LEU . 87.2 m -55.5 -44.32 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.735 ' O ' HG11 ' A' ' 30' ' ' VAL . 3.6 mt -54.22 -31.53 53.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -86.43 6.9 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 60' ' ' THR . 29.1 t -56.46 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.73 -178.16 20.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -50.86 107.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.3 m-30 -112.96 -170.17 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.99 HG23 ' HB ' ' A' ' 151' ' ' THR . 32.7 m -152.88 87.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 70' ' ' ALA . 39.6 t -51.44 139.66 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.697 ' CD2' HG23 ' A' ' 103' ' ' VAL . 11.6 m-85 -133.69 66.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.75 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.85 129.07 28.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -138.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.945 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.609 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 38.2 p -61.08 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.644 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 82.8 m-20 -72.1 -47.26 52.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.67 -11.11 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -82.7 -52.32 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -79.48 -32.69 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -63.39 -24.48 67.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -65.65 -45.76 81.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 83' ' ' THR . 57.9 mt -68.71 149.0 98.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.05 158.95 41.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.38 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -50.76 -41.74 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.661 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -64.73 -47.68 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.17 -49.37 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.52 -19.68 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 2.2 tp10 -82.75 -46.9 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.535 ' O ' HD22 ' A' ' 94' ' ' LEU . 7.2 mt -59.54 -18.38 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.757 ' O ' HG23 ' A' ' 89' ' ' THR . 4.5 mtmp? -89.51 16.98 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.45 30.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 86' ' ' GLU . 92.4 m-20 -116.63 -73.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.419 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.2 t 67.37 8.97 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -134.66 -45.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -88.06 -22.96 23.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.088 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.83 -44.67 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 50.6 m -52.55 -46.1 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.6 -39.92 62.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.584 HG22 HD23 ' A' ' 98' ' ' LEU . 1.6 mt -64.59 -57.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.088 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -46.88 -61.08 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 1.2 p -47.97 -44.26 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.3 t80 -68.49 -10.99 59.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.689 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.2 m-70 -98.55 16.42 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.8 129.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.985 HG13 ' O ' ' A' ' 117' ' ' GLN . 45.4 t -108.81 146.72 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.92 106.07 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.1 97.53 0.92 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -48.92 145.52 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 m -160.31 151.34 19.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 2.8 p -86.04 165.88 31.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 3.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.95 -8.57 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' VAL . 12.2 m120 -123.15 -41.53 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.692 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -40.66 -33.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.829 HG23 ' HA ' ' A' ' 127' ' ' THR . 3.0 p -53.75 124.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.15 172.1 13.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 m -66.47 106.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.577 ' HD2' HG11 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -103.54 -175.39 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.985 ' O ' HG13 ' A' ' 103' ' ' VAL . 26.0 tt0 -136.2 115.88 12.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 103' ' ' VAL . 74.2 p -75.4 147.7 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -44.87 -28.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' OE1' ' O ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -56.78 -55.22 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.18 -26.18 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.542 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.63 173.15 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -105.2 135.02 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.541 HG13 ' HB2' ' A' ' 116' ' ' ARG . 3.5 p -107.02 97.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 m -65.45 100.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.761 HG13 HG22 ' A' ' 135' ' ' VAL . 2.5 t -93.29 152.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.829 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -160.61 168.38 25.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 150.16 -131.82 3.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 6.7 tt0 161.26 -49.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.3 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -176.02 109.11 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 65.29 117.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.9 t 85.03 58.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.787 ' N ' HD23 ' A' ' 133' ' ' LEU . 1.0 OUTLIER -84.32 170.6 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.512 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.4 mtpt -135.24 156.16 49.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.761 HG22 HG13 ' A' ' 126' ' ' VAL . 2.1 t -148.74 107.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.58 -48.1 0.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.512 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.8 OUTLIER -176.86 -33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -63.37 168.08 4.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.44 118.14 35.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.552 ' CB ' ' HB2' ' A' ' 133' ' ' LEU . 74.4 t -55.04 105.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.638 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.3 t -70.91 -50.14 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 39.0 t -160.8 109.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 108.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.44 174.98 16.6 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.96 78.63 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.75 HG13 HG22 ' A' ' 22' ' ' VAL . 1.7 t -92.92 50.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 54.9 m -39.03 123.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.665 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.2 p -89.61 -104.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -100.22 -71.2 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.7 p30 -130.51 45.04 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -176.72 135.36 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.99 ' HB ' HG23 ' A' ' 67' ' ' THR . 53.8 m -68.74 171.79 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.7 t -135.74 127.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.699 ' CE2' HG21 ' A' ' 151' ' ' THR . 75.1 m-85 -137.03 85.77 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.609 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.7 mtm -65.43 141.88 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.56 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -129.76 -178.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.92 38.84 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -163.63 141.48 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.611 ' HB ' HD11 ' A' ' 79' ' ' LEU . 53.2 t -80.68 74.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.604 HD11 HG12 ' A' ' 135' ' ' VAL . 67.0 mt -33.48 151.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.3 mtp -141.11 144.87 36.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.47 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 134.08 17.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.542 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.5 Cg_endo -74.97 74.67 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' LEU . 3.7 m-20 -102.53 115.69 31.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER 46.1 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 109' ' ' PRO . 4.2 p -142.78 151.95 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.76 147.72 22.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.993 -160.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.571 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -39.95 1.04 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.98 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -55.65 -64.98 3.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.07 -52.19 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -39.94 -52.26 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 mt-10 -80.65 -41.59 23.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 52.8 t80 -35.0 -66.51 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.91 -53.79 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.26 -42.26 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.77 -51.97 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -118.28 81.83 17.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.76 5.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.0 p -127.6 -165.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.43 174.43 48.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -10.32 21.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.729 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -80.0 -34.72 38.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -56.16 170.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 145' ' ' VAL . 26.6 t -61.12 -69.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -55.48 -21.72 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.62 -63.69 3.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.65 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.4 ptp -58.93 -13.53 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 15.0 m -69.97 -28.33 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.89 8.27 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.83 164.06 42.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.58 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.98 144.29 30.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.793 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.721 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 10.0 p -24.9 -50.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 30' ' ' VAL . . . -49.41 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 32' ' ' VAL . 11.8 t -40.11 -39.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -47.78 -55.86 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.522 ' C ' HG21 ' A' ' 44' ' ' THR . . . -75.21 -16.08 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.735 ' N ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.68 33.68 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -143.74 -41.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -47.16 131.07 9.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 170.027 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.729 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.2 mm-40 -122.73 -2.25 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 14.3 mt -113.47 -35.52 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -32.77 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.3 m -65.69 -55.48 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.72 -49.51 74.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.756 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -48.47 -54.58 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -43.63 -38.31 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.29 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.855 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.15 -62.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.714 ' HA ' HG23 ' A' ' 58' ' ' VAL . 9.1 t -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.41 -21.53 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.504 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 7.7 mt-30 -43.25 -25.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -108.63 -45.68 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.799 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -108.9 99.47 35.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.0 12.71 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.2 mt-30 -126.63 5.47 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -126.06 179.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 56' ' ' ASN . 5.3 p-10 173.57 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.0 mm? -91.82 -22.97 19.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.714 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.5 t -34.1 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.61 ' N ' HG12 ' A' ' 58' ' ' VAL . 10.1 t0 -48.1 -50.58 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.614 ' O ' ' CE2' ' A' ' 66' ' ' TYR . 53.3 m -60.68 -11.47 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.1 mt -101.51 -38.7 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.571 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 20.7 p-10 -83.49 46.69 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -169.6 109.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 93.55 127.68 4.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -47.51 111.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE2' ' O ' ' A' ' 60' ' ' THR . 4.1 m-30 -115.11 -174.17 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.034 HG23 ' HB ' ' A' ' 151' ' ' THR . 51.0 m -152.0 85.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.873 HG12 ' HB2' ' A' ' 70' ' ' ALA . 94.7 t -50.92 135.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CD2' HG23 ' A' ' 103' ' ' VAL . 6.8 m-85 -125.99 70.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.873 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.29 127.78 32.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -136.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 155' ' ' ILE . 33.5 p -56.5 165.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.79 -27.87 69.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.5 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -76.13 -44.52 38.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 30.8 m-85 -66.11 -28.7 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -70.3 -47.43 61.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' SER . 25.5 mtpt -39.75 -36.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.994 HD12 HG21 ' A' ' 83' ' ' THR . 0.3 OUTLIER -50.78 163.34 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.584 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 8.27 2.49 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.784 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 80' ' ' PRO . . . 76.37 -54.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.2 p -49.71 -44.41 48.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.994 HG21 HD12 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -53.36 -50.79 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 87' ' ' LEU . 32.9 mm -52.04 -65.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 6.3 m-20 -41.28 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.471 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 0.9 OUTLIER -75.9 -44.29 41.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.801 HD23 ' ND2' ' A' ' 90' ' ' ASN . 20.9 mt -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.76 -7.86 4.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 87' ' ' LEU . 10.2 t -144.14 42.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.801 ' ND2' HD23 ' A' ' 87' ' ' LEU . 95.9 m-20 -122.79 -50.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 40.1 31.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -151.12 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.42 -13.19 50.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -95.81 -52.8 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 99' ' ' THR . 0.8 OUTLIER -42.29 -40.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.486 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.6 OUTLIER -63.46 -38.07 89.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' LEU . 5.0 mt -68.17 -56.26 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -50.5 -52.3 39.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 95' ' ' THR . 26.2 p -59.41 -44.59 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.652 ' CE2' ' O ' ' A' ' 160' ' ' MET . 50.7 t80 -66.38 -14.68 62.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.641 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.2 m-70 -91.61 20.36 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.679 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.82 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 117' ' ' GLN . 97.7 t -105.86 141.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.9 103.69 15.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.27 101.13 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 134.38 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.426 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 15.5 m -153.32 134.54 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p -66.15 164.64 27.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.464 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.99 50.87 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 -45.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -98.77 -29.85 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 126' ' ' VAL . 1.4 p -48.75 -29.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.82 HG13 ' HA ' ' A' ' 127' ' ' THR . 51.1 t -64.77 128.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.46 -179.78 16.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.0 m -63.73 99.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.699 ' NH2' HG21 ' A' ' 67' ' ' THR . 0.0 OUTLIER -98.02 -177.0 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.877 ' O ' HG13 ' A' ' 103' ' ' VAL . 6.7 tt0 -135.43 116.65 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.512 ' HA ' HG22 ' A' ' 103' ' ' VAL . 69.2 p -78.58 168.22 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.679 HD23 HG13 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -65.76 -25.46 67.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 28.9 tp60 -73.84 -1.08 17.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 95.32 -52.03 1.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.886 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -45.07 163.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 p -101.79 151.64 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 116' ' ' ARG . 3.7 p -125.58 96.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 136' ' ' GLY . 32.4 m -67.05 92.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.716 HG13 HG22 ' A' ' 135' ' ' VAL . 16.5 t -80.12 164.23 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.82 ' HA ' HG13 ' A' ' 113' ' ' VAL . 20.7 m -156.1 173.12 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 127' ' ' THR . . . -176.85 142.82 6.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -128.36 -50.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.79 -121.56 0.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 -73.81 57.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.5 p 158.87 100.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.8 mp -93.3 167.46 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.69 154.94 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.716 HG22 HG13 ' A' ' 126' ' ' VAL . 2.5 t -140.16 103.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 125' ' ' THR . . . 63.71 -68.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.9 m120 -141.92 -41.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.734 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -60.3 177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -124.13 121.76 36.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.33 127.12 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.98 HG12 ' HA3' ' A' ' 7' ' ' GLY . 1.8 t -106.4 -34.86 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.778 ' SG ' HG21 ' A' ' 145' ' ' VAL . 14.9 t -161.63 98.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.96 156.75 15.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.8 18.68 53.99 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 22' ' ' VAL . 5.4 t -91.59 64.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 4.5 m -55.0 129.33 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 25' ' ' MET . 16.7 p -87.47 -107.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.19 -37.44 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -157.54 35.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.721 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -167.93 136.24 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . 1.034 ' HB ' HG23 ' A' ' 67' ' ' THR . 52.3 m -79.06 171.49 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.496 ' N ' HG22 ' A' ' 151' ' ' THR . 1.3 t -138.92 129.06 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.0 m-85 -135.78 86.32 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.473 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -57.46 146.38 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.752 ' O ' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -138.04 169.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 6.0 p-10 -110.61 47.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.604 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 4.4 m -175.82 149.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' A' ' 159' ' ' LEU . 71.6 t -81.56 68.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 135' ' ' VAL . 1.6 tp -29.68 139.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.652 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.7 mtp -132.15 147.41 65.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 129.87 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.886 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.95 56.73 4.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' C ' HD22 ' A' ' 3' ' ' LEU . 32.0 m-20 -128.77 86.7 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD22 ' C ' ' A' ' 2' ' ' ASP . 3.2 mm? -123.22 -176.74 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -114.31 127.41 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.43 156.07 8.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.625 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -56.31 -44.16 89.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.85 -31.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -65.98 -69.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -58.16 -50.16 74.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 52.9 t80 -38.72 -64.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.84 -43.09 6.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -74.31 -47.67 33.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -124.71 80.64 61.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.02 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -132.84 106.12 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . -175.01 -164.34 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.45 10.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 34.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.455 ' O ' ' CE ' ' A' ' 25' ' ' MET . 97.1 p -106.25 175.78 5.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.003 HG12 HG13 ' A' ' 145' ' ' VAL . 27.1 m -76.02 -15.16 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 26' ' ' SER . 48.5 tt0 -107.04 -52.48 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -48.88 -21.91 2.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.81 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.5 ptp -93.82 -19.23 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' GLN . 0.4 OUTLIER -58.88 -43.96 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.59 -18.54 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.595 ' CG ' HG12 ' A' ' 32' ' ' VAL . 89.2 m-20 -95.44 143.96 27.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.527 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.04 97.41 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.722 HG13 ' H ' ' A' ' 31' ' ' ALA . 7.6 p 32.29 -120.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.722 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -9.06 -71.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 35' ' ' SER . 73.7 t -33.64 -60.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.81 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -36.94 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -41.93 -31.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.741 ' CB ' HG21 ' A' ' 44' ' ' THR . 3.3 t -77.28 48.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -166.0 -39.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.852 ' O ' HG23 ' A' ' 41' ' ' THR . 1.8 m-20 -54.75 130.9 65.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 170.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.78 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.63 4.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -119.51 -8.05 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 34' ' ' ALA . 41.5 mt -109.82 -31.79 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.852 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.7 p -34.43 -37.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.58 -56.35 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.962 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -61.3 -47.98 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.741 HG21 ' CB ' ' A' ' 35' ' ' SER . 6.8 m -46.23 -57.38 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.96 -42.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -61.99 -70.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.752 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.89 -63.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.458 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -38.11 -52.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.57 -25.38 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -41.03 -49.29 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -77.68 -48.18 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.847 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -115.05 90.45 23.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 8.84 2.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -111.28 4.63 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.847 HG12 ' HB2' ' A' ' 52' ' ' ASN . 6.4 p -154.3 158.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.9 p30 -150.97 129.99 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' ' C ' ' A' ' 58' ' ' VAL . 1.5 mm? -109.29 -48.51 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.771 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -21.68 -79.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.771 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.61 -55.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -57.71 -51.66 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -54.36 -33.37 58.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.91 52.26 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -115.72 -93.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.71 179.94 22.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mt-30 -58.33 106.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 12.4 m-30 -111.81 -170.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.914 HG23 ' HB ' ' A' ' 151' ' ' THR . 26.0 m -152.04 86.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.819 HG12 ' HB2' ' A' ' 70' ' ' ALA . 46.3 t -52.12 137.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.0 m-85 -125.29 65.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.819 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.7 125.77 50.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -139.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.962 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.469 HG21 HG21 ' A' ' 141' ' ' VAL . 20.2 p -52.92 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -84.08 0.51 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.46 -12.83 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 157' ' ' SER . . . -79.19 -42.46 26.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.812 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.4 m-85 -77.06 -44.82 29.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -49.6 -23.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.48 -29.37 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.492 HD11 HG21 ' A' ' 158' ' ' VAL . 31.5 mt -82.57 154.72 68.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.18 26.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.78 -48.41 4.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -42.91 -58.37 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.86 -47.15 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.84 -47.37 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -19.12 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.791 ' HG3' HD22 ' A' ' 90' ' ' ASN . 6.5 tp10 -84.84 -52.48 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 87' ' ' LEU . 5.9 mt -54.66 -19.14 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.9 mttt -81.07 4.43 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.7 p -145.93 14.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.791 HD22 ' HG3' ' A' ' 86' ' ' GLU . 1.2 m120 -117.77 156.0 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 91' ' ' SER . 2.8 t -149.37 18.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.02 -43.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.79 -36.12 23.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.823 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -74.22 -49.29 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.8 t -47.71 -43.13 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.518 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -51.81 -45.88 64.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.704 HG22 HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -62.57 -54.64 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.823 HD21 HD12 ' A' ' 94' ' ' LEU . 2.3 mt -45.33 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.493 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 68.6 p -43.16 -49.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.7 t80 -58.77 -16.09 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.741 ' NE2' ' N ' ' A' ' 159' ' ' LEU . 18.7 m-70 -99.43 20.66 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.33 117.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.822 HG22 ' HA ' ' A' ' 118' ' ' THR . 2.9 t -95.92 159.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -104.59 97.41 7.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.87 87.97 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.44 128.89 8.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.443 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 30.9 m -147.27 126.61 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.6 p -61.65 168.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.06 49.52 2.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -134.13 -45.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 113' ' ' VAL . 32.2 m-20 -98.23 -34.98 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.57 -29.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.73 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.6 p -63.09 139.9 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.12 171.03 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 115' ' ' THR . 2.4 t -62.35 99.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -98.83 179.74 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 103' ' ' VAL . 42.3 tt0 -118.35 119.72 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.822 ' HA ' HG22 ' A' ' 103' ' ' VAL . 31.1 p -92.49 166.42 12.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.737 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 16.2 mt -51.75 -58.65 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.493 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -38.51 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 107.62 -17.34 36.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.16 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 17.3 m -81.42 139.93 34.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.7 p -115.83 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.3 m -65.33 85.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 124' ' ' VAL . 60.2 t -76.45 155.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.73 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -152.5 169.29 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.513 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . 148.97 151.18 5.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 177.75 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 67.55 86.98 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 132' ' ' SER . 21.8 m120 42.5 84.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER 162.46 43.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.513 HD23 ' HA3' ' A' ' 128' ' ' GLY . 4.9 mt -74.23 129.56 38.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.15 155.15 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.541 ' CG1' HD21 ' A' ' 159' ' ' LEU . 1.6 t -150.25 123.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.87 47.02 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.5 t-20 87.74 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.768 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -50.07 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -121.74 114.15 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 42.2 t -56.44 102.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.625 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.3 t -70.31 -49.04 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 11.0 t -155.13 105.54 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.43 167.17 12.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.64 17.69 67.68 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.003 HG13 HG12 ' A' ' 22' ' ' VAL . 1.6 t -85.42 51.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.3 m -43.67 128.98 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.651 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.9 OUTLIER -98.04 -103.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.61 -75.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -125.41 46.33 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.531 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -178.36 143.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.914 ' HB ' HG23 ' A' ' 67' ' ' THR . 19.5 m -81.59 176.09 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.55 ' H ' HG22 ' A' ' 151' ' ' THR . 1.8 t -142.96 125.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.548 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 91.2 m-85 -133.47 91.72 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 2.2 mtm -61.79 140.69 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.768 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -140.66 172.39 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.5 p-10 -114.43 49.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.646 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.8 OUTLIER -173.44 121.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 158' ' ' VAL . 0.9 OUTLIER -69.91 70.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.741 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 1.8 mp -25.48 143.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.725 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.63 144.58 53.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.518 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.95 113.16 3.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.51 4.62 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.63 169.17 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.428 ' H ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? -58.32 -175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.582 HG21 ' CB ' ' A' ' 109' ' ' PRO . 33.4 m -117.34 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.16 151.71 8.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.637 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -52.13 -47.45 55.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -41.68 -51.84 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.37 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -53.31 -54.45 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.432 ' O ' ' N ' ' A' ' 14' ' ' ALA . 72.1 t80 -37.36 -66.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.82 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.05 -42.83 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.73 -50.21 26.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -120.63 90.05 45.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.53 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.1 p -146.76 -176.73 5.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.3 -154.45 16.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -32.93 4.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -76.77 -117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.444 ' O ' ' HE3' ' A' ' 25' ' ' MET . 11.0 m 42.05 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG12 HG13 ' A' ' 145' ' ' VAL . 32.6 m -92.78 -29.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -90.52 -28.3 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -61.49 -15.43 46.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.634 ' CG ' HG22 ' A' ' 147' ' ' THR . 15.5 ptp -110.18 -17.67 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 147' ' ' THR . 58.6 m -73.97 -15.42 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -92.82 7.92 41.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.623 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -140.91 170.09 10.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.98 143.43 29.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.696 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 14.2 p -28.12 -41.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -55.11 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' SER . 40.8 t -42.34 -37.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -45.26 -30.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.05 -29.67 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.7 ' CB ' HG21 ' A' ' 44' ' ' THR . 17.5 t -67.54 -8.39 33.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -90.26 -55.4 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.908 ' O ' HG23 ' A' ' 41' ' ' THR . 1.5 t30 -53.72 139.88 49.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -167.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.578 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.9 mm-40 -124.89 1.74 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD22 ' HB1' ' A' ' 70' ' ' ALA . 29.7 mt -117.53 -33.4 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.908 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.4 p -34.84 -43.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.45 -54.06 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.943 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.88 -40.41 84.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.7 HG21 ' CB ' ' A' ' 35' ' ' SER . 18.5 m -51.12 -56.23 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.35 -33.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -70.51 -73.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.904 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.657 ' HA ' HG23 ' A' ' 58' ' ' VAL . 54.0 p -47.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.16 -21.94 0.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.601 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 5.5 mt-30 -38.39 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.49 -55.06 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.77 ' HB3' HG13 ' A' ' 55' ' ' VAL . 1.7 t30 -125.95 129.03 24.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.95 0.71 10.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.929 HG11 HD21 ' A' ' 94' ' ' LEU . 3.6 m -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.4 p30 -138.17 98.21 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.7 mm? -87.96 -31.57 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' A' ' 48' ' ' SER . 41.6 t -36.25 -65.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -39.91 -40.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 7.8 m -78.2 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.81 HD21 HG21 ' A' ' 102' ' ' VAL . 46.8 mt -32.96 -46.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -81.94 50.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.9 t -114.37 -91.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -118.36 -175.51 16.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -52.18 106.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 5.0 m-30 -113.63 -175.08 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.967 HG23 ' HB ' ' A' ' 151' ' ' THR . 37.2 m -152.21 88.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.821 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.8 t -52.51 141.6 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 10.2 m-85 -130.36 66.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -98.91 130.32 27.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -137.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.943 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 127.64 10.86 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 155' ' ' ILE . 37.1 p -74.98 173.6 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.578 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 18.6 m-20 -61.82 -29.95 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.61 -0.99 52.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -95.86 -44.57 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.78 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.6 m-85 -71.07 -30.96 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -60.37 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HB3' HG21 ' A' ' 83' ' ' THR . 29.9 mt -56.15 149.7 34.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.46 35.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.28 -51.59 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -41.41 -50.82 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.13 -48.25 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.37 -59.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.56 -24.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -78.97 -48.52 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.69 ' O ' HD22 ' A' ' 94' ' ' LEU . 4.6 mt -50.82 -22.63 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -91.85 27.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 6.5 t -174.83 35.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -119.0 -73.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.413 ' H ' HD23 ' A' ' 94' ' ' LEU . 7.0 t 69.77 12.3 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 m -136.84 -44.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -93.98 -20.12 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.929 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -86.15 -45.63 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -52.61 -45.29 66.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.559 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.45 -39.15 60.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.609 HG22 HD23 ' A' ' 98' ' ' LEU . 2.0 mt -65.16 -60.08 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.837 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -47.88 -58.27 4.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 1.036 HG22 HD11 ' A' ' 119' ' ' LEU . 2.1 p -48.89 -49.45 39.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.755 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.1 t80 -59.91 -24.7 64.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.66 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 64.5 m-70 -82.75 21.29 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.908 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.0 t -153.36 141.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 117' ' ' GLN . 31.2 t -129.15 128.78 67.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.58 98.0 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' NH2' ' A' ' 116' ' ' ARG . . . 139.62 107.87 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 131.68 44.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.8 m -154.35 127.97 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.4 p -59.07 168.63 1.45 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.582 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 50.12 2.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.18 -45.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 9.6 m120 -99.71 -27.79 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -53.59 -19.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 127' ' ' THR . 57.6 t -60.77 148.04 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.78 -177.68 46.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.44 ' H ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -56.32 127.69 32.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -128.45 136.18 50.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.734 ' O ' HG13 ' A' ' 103' ' ' VAL . 20.9 tt0 -81.6 127.22 32.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.759 ' CG2' HG22 ' A' ' 124' ' ' VAL . 9.6 p -102.13 163.19 12.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.036 HD11 HG22 ' A' ' 99' ' ' THR . 0.8 OUTLIER -59.64 -21.15 60.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.537 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 29.9 tp60 -69.8 -36.69 75.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -27.39 5.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.764 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -75.98 172.22 13.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 p -109.2 150.36 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.759 HG22 ' CG2' ' A' ' 118' ' ' THR . 0.1 OUTLIER -112.8 110.75 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.6 m -69.13 73.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 135' ' ' VAL . 16.5 t -67.72 159.75 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.58 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -160.53 171.02 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.455 ' HA2' HD22 ' A' ' 133' ' ' LEU . . . -175.14 147.46 8.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -159.31 83.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 71.41 -57.57 1.19 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -160.53 45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.45 58.87 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.641 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.4 OUTLIER -69.67 135.28 49.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 135' ' ' VAL . 20.7 mttt -134.26 159.61 40.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.966 HG12 HD21 ' A' ' 159' ' ' LEU . 2.1 t -156.96 133.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.72 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . 35.78 43.37 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.5 t-20 87.72 -47.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -46.45 172.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 17.8 m-20 -117.28 122.59 44.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.641 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 63.8 t -59.99 123.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.637 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.7 t -94.67 -53.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.2 t -149.91 103.02 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 108.337 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.559 ' O ' HG22 ' A' ' 4' ' ' VAL . . . -113.23 160.61 13.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.19 23.97 38.85 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.597 HG13 HG12 ' A' ' 22' ' ' VAL . 2.6 t -95.16 66.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.0 m -52.74 128.14 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.669 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 4.8 p -88.12 -108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.15 -41.15 4.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -151.95 41.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.696 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -177.5 151.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.967 ' HB ' HG23 ' A' ' 67' ' ' THR . 32.9 m -89.21 173.96 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.512 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -140.18 128.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.513 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -135.69 89.46 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 6.5 mtm -62.62 143.89 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.614 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -133.68 173.63 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 1.3 p-10 -110.16 38.5 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.61 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -168.83 152.72 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 158' ' ' VAL . 89.0 t -73.26 13.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.966 HD21 HG12 ' A' ' 135' ' ' VAL . 8.6 mt 51.08 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.755 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 33.4 mtp 82.06 140.89 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.559 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.93 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.764 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.1 Cg_endo -75.02 70.66 5.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.27 135.03 39.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER 46.27 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.519 HG11 ' CB ' ' A' ' 109' ' ' PRO . 11.0 p -136.02 165.03 30.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 82.67 154.55 15.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.54 1.15 . . . . 0.0 111.06 -170.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.457 1.767 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -46.72 -38.96 10.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.01 -50.11 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.21 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -40.91 -54.1 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.6 t80 -40.3 -55.3 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.03 -47.52 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -58.54 -41.87 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.38 -45.91 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.677 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 60.1 m-80 -124.31 73.69 59.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.0 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' GLY . 13.6 p -115.8 -16.8 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.86 174.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -95.37 -1.75 50.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.2 p -68.43 166.35 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.792 HG13 ' CG1' ' A' ' 145' ' ' VAL . 17.5 t -58.36 -27.85 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' SER . 55.2 tt0 -92.06 -47.45 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.77 -22.9 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.669 ' SD ' HG22 ' A' ' 147' ' ' THR . 13.7 ptp -99.86 -24.09 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' GLN . 22.8 t -61.77 -15.97 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.19 25.84 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 24.6 m-20 -148.36 153.03 40.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.622 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.805 HG13 ' H ' ' A' ' 31' ' ' ALA . 3.1 p 27.5 -106.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . . . -18.08 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.622 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 54.3 t -30.52 -55.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -42.9 -62.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -46.22 -24.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.902 ' OG ' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -79.61 46.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -154.11 -46.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 1.001 ' O ' HG23 ' A' ' 41' ' ' THR . 29.1 t-20 -48.39 131.78 13.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.699 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 8.08 2.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.1 mm-40 -128.0 3.67 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.608 HD22 ' HB1' ' A' ' 70' ' ' ALA . 34.9 mt -118.87 -29.55 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.001 HG23 ' O ' ' A' ' 37' ' ' ASN . 53.6 p -36.23 -40.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -63.17 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.836 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.55 -48.21 82.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.902 HG21 ' OG ' ' A' ' 35' ' ' SER . 1.2 m -49.35 -58.07 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB3' HD13 ' A' ' 51' ' ' LEU . . . -41.28 -37.09 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.7 -73.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -43.57 -59.55 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 1.1 p -43.96 -66.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.497 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 148.79 -21.1 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.09 -24.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD13 ' HB3' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -100.52 -44.7 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.89 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -123.01 106.08 34.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -115.9 -2.45 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.89 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -126.76 149.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.955 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.8 p30 -159.66 101.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.955 HD23 ' C ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -109.63 -27.07 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.511 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.8 p -33.54 -56.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' H ' HG13 ' A' ' 58' ' ' VAL . 7.7 m-20 -61.17 -39.15 89.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' LEU . 64.1 m -62.97 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.82 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 2.2 mm? -30.79 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' THR . 55.6 t30 -82.2 50.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -91.85 -84.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -156.62 118.85 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.54 ' O ' ' O ' ' A' ' 64' ' ' GLY . 14.2 mt-30 37.81 99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.712 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 2.6 m-85 -122.84 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.943 HG23 ' HB ' ' A' ' 151' ' ' THR . 23.8 m -152.49 85.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.84 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.6 t -52.64 133.5 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 7.2 m-85 -120.9 65.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.84 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -93.9 128.07 42.87 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -138.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.836 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.04 119.97 5.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 155' ' ' ILE . 66.3 p -67.62 177.73 1.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 37.5 m-20 -61.03 -55.98 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.51 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -74.99 -51.8 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.689 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 24.4 m-85 -68.38 -37.54 80.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -42.48 76.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.7 mtmt -40.67 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' LYS . 9.6 mt -39.69 150.13 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.86 59.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.84 -46.51 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -53.03 60.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.548 HG22 ' HE3' ' A' ' 88' ' ' LYS . 44.8 mm -56.23 -41.63 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.18 -16.89 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.677 ' O ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -88.33 -39.33 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.589 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.7 mt -60.45 -35.45 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HE3' HG22 ' A' ' 84' ' ' ILE . 14.0 mtmt -76.26 34.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.4 t -171.1 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.572 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.2 m-20 -43.59 -71.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 17.3 t 65.42 21.15 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.39 -45.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.5 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -89.48 -25.46 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -83.65 -50.8 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 99' ' ' THR . 7.3 m -47.67 -45.09 27.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 2.0 m -56.88 -37.86 71.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.473 HG23 ' HD2' ' A' ' 101' ' ' HIS . 6.7 mt -65.04 -61.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -38.95 -63.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.747 HG22 HD22 ' A' ' 119' ' ' LEU . 63.0 p -47.09 -48.56 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.672 ' CE2' ' O ' ' A' ' 160' ' ' MET . 25.2 t80 -63.62 -12.97 37.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.856 ' CE1' HD11 ' A' ' 155' ' ' ILE . 11.7 m-70 -97.4 21.48 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -155.36 135.71 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.795 HG22 ' HA ' ' A' ' 118' ' ' THR . 19.4 t -117.63 134.68 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.42 95.96 9.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.19 86.39 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.53 138.9 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.562 ' HB ' HG13 ' A' ' 112' ' ' VAL . 33.3 m -152.58 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.588 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 52.3 p -73.05 159.85 84.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 49.53 2.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.85 19.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.4 m120 -156.74 -52.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.7 -40.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 111' ' ' ASN . 13.8 p -38.8 149.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.01 -172.41 41.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 123' ' ' SER . 1.2 m -62.45 127.67 32.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.71 ' O ' HG12 ' A' ' 124' ' ' VAL . 3.4 tpm_? -140.4 126.68 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 103' ' ' VAL . 47.9 tt0 -69.09 125.27 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.795 ' HA ' HG22 ' A' ' 103' ' ' VAL . 18.0 p -99.5 177.78 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.448 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.747 HD22 HG22 ' A' ' 99' ' ' THR . 0.9 OUTLIER -54.95 -61.24 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -38.13 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.32 -21.77 21.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -66.84 -175.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 115' ' ' THR . 3.2 m -120.18 138.37 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.2 p -112.22 118.85 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 125' ' ' THR . 3.2 m -80.38 79.11 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 135' ' ' VAL . 38.9 t -64.33 158.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.54 ' HA ' HG23 ' A' ' 113' ' ' VAL . 3.5 m -147.63 169.99 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -179.85 145.03 6.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -140.47 -70.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -130.72 -136.66 4.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 132' ' ' SER . 32.2 m120 -69.96 62.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 3.4 p 162.17 103.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 mp -96.41 169.52 9.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.78 159.37 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 137' ' ' ASN . 1.8 t -147.16 114.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.26 -80.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' VAL . 4.9 m120 -147.21 20.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -117.46 177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -118.7 124.55 47.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.58 128.68 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.548 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -101.53 -46.14 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.5 t -156.1 100.53 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.37 164.14 12.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.39 23.33 58.82 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.792 ' CG1' HG13 ' A' ' 22' ' ' VAL . 1.6 t -90.66 52.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 22.8 m -40.84 124.59 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.669 HG22 ' SD ' ' A' ' 25' ' ' MET . 1.8 p -90.24 -102.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.6 -64.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 8.2 p30 -134.82 27.59 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.784 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -154.88 149.77 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.943 ' HB ' HG23 ' A' ' 67' ' ' THR . 44.0 m -86.17 175.99 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.571 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -142.27 127.11 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.499 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 89.5 m-85 -135.28 90.48 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.482 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 3.8 mtm -62.72 138.89 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.856 HD11 ' CE1' ' A' ' 101' ' ' HIS . 9.4 pt -129.58 165.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 8.3 p-10 -108.98 43.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.659 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -169.59 135.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 158' ' ' VAL . 54.4 t -74.18 77.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.609 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.3 tp -37.37 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.672 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.1 mtt -144.93 146.85 32.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.416 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.01 142.78 28.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.06 171.08 19.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.29 173.0 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.28 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.657 HG21 ' CB ' ' A' ' 109' ' ' PRO . 34.7 m -133.07 139.15 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.33 152.92 9.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.687 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.28 -33.24 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.19 -31.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.18 -72.06 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 40.0 mm-40 -42.93 -52.0 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.3 t80 -44.23 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 14' ' ' ALA . . . -47.81 -48.44 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.9 -28.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -97.59 -37.8 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -130.37 84.73 58.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -109.62 -161.56 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.75 178.24 51.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.97 -10.57 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.679 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -78.56 -35.06 46.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -46.06 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 145' ' ' VAL . 25.5 t -64.32 -44.42 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -78.52 -35.04 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.71 -59.97 9.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.703 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 11.5 ptp -55.63 -22.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -60.13 -19.33 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -89.12 -18.88 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.577 ' OD1' HG12 ' A' ' 32' ' ' VAL . 67.4 m-20 -92.83 146.61 32.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.538 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.749 HG13 ' H ' ' A' ' 31' ' ' ALA . 11.1 p 31.28 -121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.749 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.87 -72.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.577 HG12 ' OD1' ' A' ' 28' ' ' ASP . 74.1 t -30.11 -62.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.703 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.3 -64.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.655 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -49.38 -52.99 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.724 ' CB ' HG21 ' A' ' 44' ' ' THR . 40.2 t -46.48 -23.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 3.8 m120 -132.93 28.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.9 132.11 35.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 139.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.679 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 10.83 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.783 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.2 mt-10 -119.47 -19.14 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.046 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.33 -4.91 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.614 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 82.8 p -34.92 -43.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.563 HG21 ' CG ' ' A' ' 76' ' ' PHE . 60.1 m -65.32 -52.16 55.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.946 ' HG ' HD21 ' A' ' 47' ' ' LEU . 3.7 tp -45.98 -61.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.724 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -45.61 -65.69 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -31.02 -42.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HA ' HD22 ' A' ' 51' ' ' LEU . . . -63.62 -66.15 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.946 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -60.09 -62.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.9 p -36.71 -49.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 124.29 -25.4 6.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -38.38 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -85.59 -65.49 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HB2' HD23 ' A' ' 51' ' ' LEU . 2.5 t30 -112.94 121.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.05 5.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -111.38 7.29 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.777 HG21 ' CD2' ' A' ' 94' ' ' LEU . 76.8 t -125.88 138.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.1 p30 -157.78 119.57 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.616 ' O ' ' C ' ' A' ' 58' ' ' VAL . 11.7 mt -128.82 -45.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -20.21 -80.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.772 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.7 m-20 -35.74 -56.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' LEU . 71.9 m -54.78 -62.19 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.73 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.18 -32.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -92.15 54.35 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 t -122.54 -91.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -96.91 169.57 25.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -53.68 105.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 6.6 m-30 -111.19 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.006 HG23 ' HB ' ' A' ' 151' ' ' THR . 42.0 m -152.75 90.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 70' ' ' ALA . 5.1 t -52.97 141.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.6 m-85 -133.46 63.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.864 ' HB1' HD22 ' A' ' 43' ' ' LEU . . . -100.26 131.9 23.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -137.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.727 ' HA ' HD12 ' A' ' 155' ' ' ILE . 18.2 Cg_endo -75.0 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.642 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 25.1 p -57.01 -160.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -77.7 -39.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.27 36.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.65 -68.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.715 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 62.7 m-85 -58.54 -27.39 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -65.28 -36.51 84.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -57.96 -61.47 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.646 HD13 HG21 ' A' ' 83' ' ' THR . 25.0 mt -46.59 147.93 1.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.96 155.67 43.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -45.61 63.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.88 -52.62 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.646 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -56.31 -48.18 77.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.679 HG22 ' HE2' ' A' ' 88' ' ' LYS . 36.8 mm -61.75 -48.91 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -17.35 26.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.21 -47.02 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.532 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -57.65 -18.76 22.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.679 ' HE2' HG22 ' A' ' 84' ' ' ILE . 12.8 mttm -90.06 18.51 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 t -170.29 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.556 ' CG ' HD23 ' A' ' 93' ' ' LEU . 95.2 m-20 -116.2 -73.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER 75.61 -56.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.6 p -90.05 46.33 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.556 HD23 ' CG ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -170.04 -48.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.053 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -65.82 -38.42 88.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 99' ' ' THR . 1.3 m -54.0 -40.69 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -55.83 -39.36 71.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.576 HG22 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -66.56 -59.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.053 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -44.22 -63.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 95' ' ' THR . 67.6 p -46.04 -49.53 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.459 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.2 t80 -59.65 -20.24 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.716 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 25.3 m-70 -89.92 22.29 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.93 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.8 t -152.24 150.78 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 117' ' ' GLN . 99.8 t -133.75 136.78 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 100.7 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.08 95.27 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.5 140.48 17.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 7.0 m -153.81 150.75 28.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.3 p -85.48 161.84 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.657 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.01 46.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -153.29 20.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 112' ' ' VAL . 18.3 m120 -153.73 -52.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.37 -44.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 127' ' ' THR . 42.9 t -42.68 124.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 135.04 -179.44 17.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 65.8 m -72.74 70.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -71.12 176.52 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.996 ' O ' HG13 ' A' ' 103' ' ' VAL . 24.2 tt0 -126.66 123.66 38.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -86.37 149.96 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.93 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -47.95 -28.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.495 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 16.6 tm0? -57.09 -51.0 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 141.71 -28.46 2.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.05 178.45 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -109.82 134.03 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.412 HG13 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -104.58 108.11 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.7 m -74.7 81.49 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.672 HG13 ' CG2' ' A' ' 135' ' ' VAL . 43.9 t -72.26 146.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.671 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -147.63 -177.14 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.28 159.8 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -149.09 -77.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.12 -153.77 20.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.63 67.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.18 91.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 133' ' ' LEU . 5.1 mp -95.11 157.14 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -127.47 161.4 28.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.882 HG12 HD11 ' A' ' 159' ' ' LEU . 1.4 t -150.48 94.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 79.67 -22.99 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 3.2 m-20 155.82 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.738 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -69.34 168.93 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' VAL . 11.8 m-20 -113.31 107.87 16.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 154' ' ' MET . 93.6 t -47.07 96.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.687 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -59.69 -47.12 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 42.4 t -162.18 108.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.237 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.82 173.82 16.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.63 19.86 79.74 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -90.46 50.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 43.1 m -39.1 118.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.55 HG22 ' HG3' ' A' ' 25' ' ' MET . 2.3 p -81.23 -105.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.31 -68.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.0 p30 -130.8 46.42 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.541 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -178.97 137.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . 1.006 ' HB ' HG23 ' A' ' 67' ' ' THR . 94.4 m -70.26 168.19 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -133.92 128.3 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.721 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.8 m-85 -136.63 86.76 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.642 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.3 OUTLIER -63.2 138.62 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.5 pp -133.71 160.63 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -106.29 50.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.738 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -166.98 131.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.052 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 158' ' ' VAL . 78.1 t -75.07 70.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.882 HD11 HG12 ' A' ' 135' ' ' VAL . 30.4 mt -33.98 150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.689 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.1 mtt -142.29 145.03 33.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.48 24.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.644 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 18.3 Cg_endo -75.01 67.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 162' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.03 124.78 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.771 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.95 176.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 m -119.36 121.73 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.26 152.38 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 -176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.789 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.32 -46.02 4.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -40.02 -30.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -73.63 -69.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -54.45 -53.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' GLY . 68.2 t80 -48.18 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.52 -48.48 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -50.08 -32.56 15.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.54 -42.62 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -127.41 77.06 76.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p -121.64 173.34 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.85 -171.93 19.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.98 18.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.878 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -97.1 39.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.25 -172.28 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.956 HG13 HG13 ' A' ' 145' ' ' VAL . 32.8 t -78.56 -48.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -20.61 29.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.29 -46.74 25.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.819 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 9.4 ptp -63.64 -9.99 16.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -68.27 -43.15 78.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.51 -12.11 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.52 ' CG ' HG12 ' A' ' 32' ' ' VAL . 61.2 m-20 -100.12 143.71 27.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.94 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.771 HG13 ' H ' ' A' ' 31' ' ' ALA . 13.8 p 31.21 -124.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.771 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -7.79 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 35' ' ' SER . 83.3 t -29.6 -61.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.819 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.14 -56.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 1.007 ' HB2' HG21 ' A' ' 44' ' ' THR . 0.1 OUTLIER -55.12 -17.61 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.493 ' N ' HD22 ' A' ' 36' ' ' ASN . 1.5 m-80 -97.47 -34.99 10.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.66 ' O ' HG23 ' A' ' 41' ' ' THR . 2.4 m-20 -60.94 131.38 91.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 174.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.878 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 8.07 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.744 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -120.07 -18.78 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.057 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.7 -10.26 16.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -39.17 -39.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.607 HG23 ' CE2' ' A' ' 76' ' ' PHE . 5.2 t -70.7 -45.81 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.999 HD13 ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -51.57 -68.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.007 HG21 ' HB2' ' A' ' 35' ' ' SER . 0.2 OUTLIER -46.53 -63.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.45 -41.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.2 -70.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.781 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -50.79 -60.87 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.547 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.12 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.9 -21.28 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.0 mt-30 -46.15 -22.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -112.42 -44.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.867 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.49 91.39 20.16 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -129.55 3.15 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 52' ' ' ASN . 8.4 p -150.23 150.95 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -150.91 104.5 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 60' ' ' THR . 8.4 mp -104.55 -32.54 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.593 HG13 ' N ' ' A' ' 59' ' ' ASP . 12.8 p -37.88 -57.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -46.86 -43.35 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.3 m -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.0 mt -34.14 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 60' ' ' THR . 0.8 OUTLIER -87.58 53.18 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -124.43 -88.85 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.48 -175.98 40.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 mp0 -76.02 105.93 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 15.4 m-30 -112.87 -168.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.013 HG23 ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.67 92.85 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.984 HG12 ' HB2' ' A' ' 70' ' ' ALA . 43.7 t -51.72 138.08 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.614 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.5 m-85 -130.07 70.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.984 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -106.91 126.9 29.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -135.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.999 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.99 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.564 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 62.7 p -61.83 -159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.46 4.44 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.49 -1.96 20.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' HB1' ' C ' ' A' ' 157' ' ' SER . . . -98.55 -60.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.768 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 59.1 m-85 -55.78 -19.65 12.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -16.62 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.34 -48.02 62.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 158' ' ' VAL . 7.9 mt -69.47 151.77 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.51 36.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.76 -42.85 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 t -48.64 -42.01 32.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -47.03 66.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -62.67 -55.16 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -24.77 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.0 tp10 -82.3 -47.11 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 87' ' ' LEU . 4.7 mt -53.77 -20.98 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -86.15 8.87 19.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' GLU . 73.1 p -144.45 13.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.481 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.1 m-20 -121.44 161.05 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.63 20.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.96 -45.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.053 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -82.43 -29.79 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.033 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -47.12 12.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.491 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -49.8 -45.73 50.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 11.3 p -49.71 -40.8 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.764 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -67.42 -58.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.033 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.23 -56.54 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.7 p -49.11 -48.61 44.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 1.021 ' CE1' HG13 ' A' ' 124' ' ' VAL . 11.9 t80 -65.25 -11.58 42.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.682 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.0 m-70 -95.56 22.89 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -161.26 131.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.801 HG13 HH21 ' A' ' 116' ' ' ARG . 2.5 t -109.64 163.15 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -105.17 101.86 11.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 126.79 91.66 0.79 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -45.36 134.77 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.2 m -143.57 147.84 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.643 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 5.9 p -87.65 161.86 43.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HG3' ' HA3' ' A' ' 144' ' ' GLY . 18.2 Cg_endo -74.99 46.9 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.67 15.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 113' ' ' VAL . 79.6 m-20 -152.73 -53.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.643 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.33 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 111' ' ' ASN . 84.4 t -43.28 141.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.46 -107.44 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.76 HG23 ' HB2' ' A' ' 123' ' ' SER . 1.9 m -147.81 97.34 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.801 HH21 HG13 ' A' ' 103' ' ' VAL . 2.9 mmm180 -81.61 170.23 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -119.33 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.909 HG21 ' CD1' ' A' ' 100' ' ' TYR . 73.4 p -53.86 143.12 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.056 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -50.89 -20.65 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 1.056 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -63.56 -51.07 66.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.27 -14.81 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.467 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 156.07 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.76 ' HB2' HG23 ' A' ' 115' ' ' THR . 37.0 p -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 1.021 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -125.89 103.1 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.9 m -65.96 88.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 135' ' ' VAL . 15.8 t -85.33 149.19 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.475 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -141.67 170.32 15.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -166.25 135.37 3.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.14 -72.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -153.6 -44.26 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -149.5 46.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.81 87.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 mp -82.11 168.01 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -129.31 163.64 25.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 126' ' ' VAL . 1.2 t -165.66 128.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.707 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . 44.17 36.1 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 11.2 t-20 89.33 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.615 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -58.96 -179.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -125.83 121.21 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 91.0 t -58.13 111.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.789 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -79.3 -42.64 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.2 t -165.43 106.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.33 164.76 12.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.412 ' HA3' ' HG3' ' A' ' 109' ' ' PRO . . . 86.65 14.92 64.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.956 HG13 HG13 ' A' ' 22' ' ' VAL . 1.8 t -87.36 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 41.2 m -37.29 112.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.558 HG23 ' CG2' ' A' ' 152' ' ' VAL . 1.4 p -79.42 -101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -109.24 -83.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 150' ' ' ALA . 0.7 OUTLIER -110.81 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 149' ' ' ASN . . . 175.27 150.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . 1.013 ' HB ' HG23 ' A' ' 67' ' ' THR . 42.5 m -81.94 172.41 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' A' ' 147' ' ' THR . 1.5 t -132.23 124.3 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.716 ' CE2' HG21 ' A' ' 151' ' ' THR . 67.6 m-85 -135.51 81.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.564 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 11.8 mtm -58.28 147.0 32.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.5 167.13 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -103.5 32.48 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.615 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -161.37 151.76 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 158' ' ' VAL . 56.1 t -75.22 14.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.871 HD21 HG12 ' A' ' 135' ' ' VAL . 13.7 mt 51.43 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.76 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 84.1 139.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.06 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.36 160.59 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.0 mm? -115.62 -174.71 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.479 HG21 ' CB ' ' A' ' 109' ' ' PRO . 6.7 m -120.62 127.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.37 154.62 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -174.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -64.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -45.18 -40.55 7.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -28.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.2 -74.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -44.97 -52.93 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 40.2 t80 -37.82 -65.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.68 -46.71 7.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.58 -40.08 37.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.85 -48.2 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -121.45 86.27 43.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 p -128.24 146.89 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -165.99 25.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -27.44 10.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.875 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -89.26 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -122.19 177.19 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.027 HG13 HG13 ' A' ' 145' ' ' VAL . 42.8 t -68.68 -22.73 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -99.64 -46.49 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.52 -23.15 8.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.664 ' SD ' HG12 ' A' ' 145' ' ' VAL . 14.5 ptp -90.58 -13.04 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.452 ' HA ' ' C ' ' A' ' 147' ' ' THR . 30.7 t -76.52 -50.15 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.32 -22.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -110.93 166.52 10.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.4 Cg_endo -75.0 161.39 38.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.9 p -38.23 -31.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -66.64 -96.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 32' ' ' VAL . 17.4 t -37.5 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' MET . . . -40.44 -41.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -87.09 -34.23 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.6 t -57.07 -15.74 5.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -81.33 -40.5 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' ND2' ' HD2' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -68.9 134.03 90.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -170.053 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.875 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.03 3.67 5.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.837 ' HA ' HD22 ' A' ' 73' ' ' ASN . 2.8 mt-10 -117.68 -2.63 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 154' ' ' MET . 68.6 mt -114.93 -29.77 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.5 -33.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.2 m -69.4 -54.15 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.884 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.95 -56.89 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.67 ' HA ' HD11 ' A' ' 47' ' ' LEU . 24.8 m -46.17 -56.06 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -44.14 -39.79 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.72 -69.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.884 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.16 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.661 ' HA ' HG23 ' A' ' 58' ' ' VAL . 2.5 t -43.29 -70.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.3 -21.1 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.5 mt-30 -45.38 -23.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.96 -45.05 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.879 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.25 90.8 17.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.99 22.62 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.48 3.06 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.879 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -149.95 145.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.0 p30 -145.85 93.5 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 99' ' ' THR . 7.0 mp -84.65 -19.81 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 48' ' ' SER . 3.5 t -40.53 -61.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.85 -35.88 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 57' ' ' LEU . 28.2 m -75.21 -65.95 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' HG13 ' A' ' 30' ' ' VAL . 19.1 mt -35.73 -34.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' THR . 59.6 m-20 -88.11 48.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 2.5 t -107.01 -93.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.634 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.49 -175.54 15.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -48.43 104.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -110.5 -176.27 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.022 HG23 ' HB ' ' A' ' 151' ' ' THR . 41.4 m -152.12 89.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.0 t -54.55 143.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 14.0 m-85 -133.25 62.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.29 128.62 34.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -137.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.873 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.95 115.12 4.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 9.1 p -65.75 -173.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.837 HD22 ' HA ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -73.72 -3.81 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.01 -18.05 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' LYS . . . -82.18 -55.21 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 64.8 m-85 -68.19 -34.62 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -55.63 -31.01 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' LEU . 10.8 mtpp -59.88 -72.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -38.69 157.56 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 139.91 24.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.56 -43.37 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -58.26 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -51.71 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.461 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.2 mm -57.14 -47.12 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.13 -14.13 33.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.13 -37.53 14.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.563 ' HB3' HD13 ' A' ' 94' ' ' LEU . 3.7 mt -68.52 -8.86 45.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' CE ' HG22 ' A' ' 84' ' ' ILE . 9.2 mtmt -94.02 28.54 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 90' ' ' ASN . 1.2 t -170.54 -40.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.553 ' ND2' HD23 ' A' ' 87' ' ' LEU . 92.8 m-20 -35.8 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' A' ' 91' ' ' SER . 0.1 OUTLIER 70.0 11.92 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 m -136.45 -44.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -26.06 20.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.911 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -80.2 -46.43 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.43 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.7 t -48.08 -47.29 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.487 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -51.3 -38.58 53.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.938 HG22 HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -68.55 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.938 HD23 HG22 ' A' ' 97' ' ' ILE . 1.4 mt -41.45 -60.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.558 HG23 HD21 ' A' ' 57' ' ' LEU . 20.9 p -48.66 -47.69 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.663 ' CE2' ' O ' ' A' ' 160' ' ' MET . 8.8 t80 -64.66 -14.47 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.759 ' NE2' ' C ' ' A' ' 158' ' ' VAL . 8.2 m-70 -93.29 15.22 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.923 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.9 t -143.98 147.87 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.633 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 61.1 t -132.59 133.7 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 94.47 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 146.86 108.39 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.8 110.0 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 110.302 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.809 HG21 ' NH2' ' A' ' 116' ' ' ARG . 38.0 m -126.79 136.6 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.595 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 3.4 p -68.25 163.31 53.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.479 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.96 46.33 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -148.94 17.61 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.9 m-80 -152.64 -50.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.595 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -32.27 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.841 HG13 ' HA ' ' A' ' 127' ' ' THR . 98.1 t -47.68 146.7 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.43 -112.0 2.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 51.1 m -151.41 108.01 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.809 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.8 -174.01 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.27 102.37 7.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.501 HG21 ' CD1' ' A' ' 100' ' ' TYR . 43.7 p -63.06 140.74 58.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.923 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -40.34 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' OE1' ' O ' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -55.11 -59.56 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 148.58 -22.35 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.483 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -85.56 160.26 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.483 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 2.9 p -88.1 144.64 26.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 3.3 p -113.24 118.25 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -78.18 106.07 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 135' ' ' VAL . 47.4 t -100.08 154.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.841 ' HA ' HG13 ' A' ' 113' ' ' VAL . 2.4 m -146.44 168.57 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.411 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -173.66 140.58 5.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -138.99 -46.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -154.44 -137.98 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.01 56.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.5 77.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.411 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 9.3 mp -72.77 173.4 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.3 OUTLIER -134.93 158.83 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 126' ' ' VAL . 1.4 t -156.91 116.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.572 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.39 41.81 32.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.0 t30 88.75 -36.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.713 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -55.73 173.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.81 120.92 37.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.28 92.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.5 t -62.32 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.4 t -143.24 105.57 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.15 161.43 12.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.44 21.81 46.68 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.027 HG13 HG13 ' A' ' 22' ' ' VAL . 1.9 t -93.97 55.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.3 m -44.43 134.67 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 6.6 p -93.8 -110.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -102.82 -40.77 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -156.36 42.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -174.02 136.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . 1.022 ' HB ' HG23 ' A' ' 67' ' ' THR . 85.7 m -75.11 170.34 16.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -136.69 127.45 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -137.02 86.47 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.627 ' HG2' HD21 ' A' ' 40' ' ' LEU . 46.0 mtm -67.15 115.94 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.713 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -105.54 178.17 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.451 ' O ' ' OG ' ' A' ' 157' ' ' SER . 10.5 p-10 -112.84 45.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.657 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -172.15 125.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.759 ' C ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -68.23 16.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.657 ' H ' ' C ' ' A' ' 157' ' ' SER . 37.9 mt 34.52 -158.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.663 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 171.46 143.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.487 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 136.78 20.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.06 74.74 3.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -151.01 -177.5 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CD1' ' SG ' ' A' ' 8' ' ' CYS . 3.8 mm? -107.56 170.08 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -137.81 6.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.4 151.59 17.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -169.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.576 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.98 -45.2 5.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -46.9 -39.55 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -48.85 -57.05 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -75.17 -41.32 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.8 t80 -36.56 -65.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.89 -48.04 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -47.9 -39.07 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -85.88 -49.68 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -119.76 83.5 29.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -131.1 -161.54 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.51 -174.81 45.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.03 21.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -93.93 16.91 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.56 ' O ' ' HE3' ' A' ' 25' ' ' MET . 56.7 p -92.13 162.91 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.772 ' HB ' HG13 ' A' ' 145' ' ' VAL . 3.5 m -69.35 -12.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 26' ' ' SER . 5.3 tp60 -107.27 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -42.93 23.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE3' ' O ' ' A' ' 21' ' ' SER . 17.3 ptp -64.75 -16.97 63.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' HA ' ' C ' ' A' ' 147' ' ' THR . 8.6 t -65.27 -57.86 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.6 -21.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.549 ' OD1' HG12 ' A' ' 32' ' ' VAL . 74.4 m-20 -91.84 144.87 30.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.6 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.0 102.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.977 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 24.05 -90.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.977 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -23.63 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG12 ' OD1' ' A' ' 28' ' ' ASP . 60.8 t -37.83 -49.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -45.8 -49.51 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.522 ' CB ' HG21 ' A' ' 44' ' ' THR . 13.0 m -86.76 37.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -145.24 -43.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.915 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -48.71 134.11 13.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 173.372 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.803 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 3.32 5.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.9 mt-10 -120.95 -4.01 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.678 HD22 ' HB1' ' A' ' 70' ' ' ALA . 16.0 mt -113.5 -33.86 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.1 p -32.39 -38.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.8 m -65.49 -57.22 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.906 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.66 -47.27 80.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.666 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -48.98 -52.52 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -45.24 -37.13 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.59 -69.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.871 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.66 -63.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.764 ' HA ' HG23 ' A' ' 58' ' ' VAL . 91.1 p -41.72 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 149.33 -21.16 1.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.72 -43.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -55.04 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -129.68 128.05 22.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 5.59 3.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -106.98 3.06 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.83 142.25 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 12.3 p-10 -164.5 105.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -111.28 -23.72 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.764 HG23 ' HA ' ' A' ' 48' ' ' SER . 22.0 t -34.8 -40.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.29 -57.08 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 76.0 m -56.78 -60.68 3.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.814 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -42.04 -34.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -91.38 55.2 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 t -172.98 109.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.04 144.27 10.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -61.88 110.32 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.3 m-30 -113.94 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.966 HG23 ' HB ' ' A' ' 151' ' ' THR . 45.1 m -150.86 87.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.666 ' CG1' ' HB2' ' A' ' 70' ' ' ALA . 76.9 t -51.09 134.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.601 ' CD2' HG23 ' A' ' 103' ' ' VAL . 9.1 m-85 -128.68 68.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.678 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -96.52 130.62 30.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -139.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.906 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 23.6 p -66.53 170.57 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -23.17 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.63 -21.16 38.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -76.89 -46.92 22.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.719 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 50.4 m-85 -72.13 -39.64 68.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -57.72 -35.86 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.453 ' NZ ' ' OG ' ' A' ' 157' ' ' SER . 26.4 mtpt -52.42 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.531 HD13 HG21 ' A' ' 83' ' ' THR . 15.7 mt -47.49 151.99 1.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 142.82 28.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.35 -46.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -56.3 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.531 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -51.74 -47.66 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.5 mm -62.44 -59.37 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.73 -27.43 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 89' ' ' THR . 7.9 tp10 -75.01 -46.13 37.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 87' ' ' LEU . 5.0 mt -56.1 -19.69 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 20.1 mttt -90.91 10.19 27.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 86' ' ' GLU . 3.0 t -144.37 13.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 7.2 m-20 -115.38 -150.47 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 95' ' ' THR . 15.7 t 179.16 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 t -71.93 -36.13 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -69.05 -47.74 64.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.049 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 91' ' ' SER . 2.5 m -53.89 -52.61 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.563 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.5 OUTLIER -43.04 -40.09 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.85 HG22 HD23 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -67.45 -58.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.049 HD21 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -47.96 -61.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 1.066 HG22 HD22 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -47.31 -46.06 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 9.0 t80 -62.8 -19.63 64.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.688 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.5 m-70 -90.15 18.49 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -153.29 121.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.601 HG23 ' CD2' ' A' ' 69' ' ' PHE . 96.7 t -98.8 152.19 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.42 100.78 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.08 95.16 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -53.63 145.02 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.712 ' HB ' HH21 ' A' ' 116' ' ' ARG . 1.3 m -166.6 144.53 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -74.62 166.01 48.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.783 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 51.39 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.52 -45.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 113' ' ' VAL . 44.6 m-20 -97.14 -33.05 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.771 HG13 HG11 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -38.16 -32.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.682 HG13 ' HA ' ' A' ' 127' ' ' THR . 62.8 t -55.59 137.19 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 170.73 18.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 111.49 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.712 HH21 ' HB ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -105.39 171.86 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -104.48 93.62 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.544 HG21 ' CD1' ' A' ' 100' ' ' TYR . 4.9 p -58.17 161.01 4.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.066 HD22 HG22 ' A' ' 99' ' ' THR . 10.0 tt -58.84 -53.58 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.463 ' O ' ' CD ' ' A' ' 120' ' ' GLN . 25.7 tp60 -42.92 -22.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 112.43 -23.0 16.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.545 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -69.44 -171.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 15.6 m -119.48 148.39 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.534 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 6.5 p -122.53 107.66 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 57.8 m -74.88 85.49 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.771 HG11 HG13 ' A' ' 112' ' ' VAL . 9.4 t -76.05 155.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.682 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -153.22 -175.52 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.0 -100.31 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 76.7 74.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.568 ' O ' HD11 ' A' ' 133' ' ' LEU . . . 125.44 -143.13 14.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -75.66 123.28 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.504 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.1 OUTLIER 77.55 109.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 4' ' ' VAL . 8.2 mp -111.56 169.98 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -137.07 155.77 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.753 ' CG1' HD11 ' A' ' 159' ' ' LEU . 1.6 t -148.25 115.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.35 43.17 19.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 21.2 t30 87.54 -26.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.779 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -64.44 169.66 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.2 OUTLIER -116.41 122.06 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.08 98.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.576 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.4 t -71.8 -56.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 t -147.29 100.3 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.0 164.14 12.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.49 56.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.772 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.5 t -94.06 55.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 52.1 m -45.95 125.03 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 5.6 p -90.39 -105.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -96.69 -64.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -139.1 32.64 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.704 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -159.47 131.65 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.966 ' HB ' HG23 ' A' ' 67' ' ' THR . 17.2 m -68.9 174.37 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.509 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -140.21 125.37 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.618 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 93.9 m-85 -137.04 88.86 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.55 ' O ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.96 109.76 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.779 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -101.74 175.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 21.4 p-10 -115.75 52.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -175.0 126.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 75' ' ' ALA . 37.4 t -71.8 69.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.753 HD11 ' CG1' ' A' ' 135' ' ' VAL . 56.1 mt -30.04 144.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.653 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -133.53 146.81 62.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.563 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.02 82.61 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 65.8 117.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 46.86 -171.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.508 HG11 ' CB ' ' A' ' 109' ' ' PRO . 7.5 p -130.73 160.64 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 89.37 156.61 32.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.656 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.17 -37.9 3.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.6 OUTLIER -44.56 -28.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -81.57 -73.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 tt0 -46.68 -52.09 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ALA . 63.3 t80 -38.5 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.64 -55.01 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.83 -40.92 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.7 -48.04 15.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -122.5 79.87 46.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.01 -23.35 13.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -135.73 -167.99 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.02 -178.31 41.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.64 21.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -79.11 -21.33 46.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -55.16 165.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.143 HG22 HG13 ' A' ' 145' ' ' VAL . 11.6 t -65.25 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 20.1 tt0 -81.87 -49.86 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.0 -63.25 1.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.911 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 10.2 ptp -53.03 -21.86 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.1 p -67.08 -8.56 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -99.1 14.73 28.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 29.0 m-20 -135.46 152.64 76.84 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 98.03 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.723 HG13 ' H ' ' A' ' 31' ' ' ALA . 7.3 p 29.17 -118.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.723 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -9.43 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 35' ' ' SER . 60.1 t -34.75 -60.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.911 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.15 -67.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -44.1 -29.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.807 ' HB2' HG21 ' A' ' 44' ' ' THR . 1.4 p -78.15 44.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 35' ' ' SER . 30.5 m-80 -162.56 -37.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.842 ' O ' HG23 ' A' ' 41' ' ' THR . 5.6 m-20 -54.5 130.33 62.72 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 167.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.93 6.32 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.5 mm-40 -121.35 -9.4 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.77 HD22 ' HB1' ' A' ' 70' ' ' ALA . 12.1 mt -112.85 -20.31 11.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -45.33 -53.09 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.521 HG23 ' CD1' ' A' ' 76' ' ' PHE . 12.9 t -54.55 -37.36 65.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.893 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.68 -42.64 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.807 HG21 ' HB2' ' A' ' 35' ' ' SER . 1.4 m -50.43 -56.66 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.17 -36.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.06 -70.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.893 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.25 -61.3 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.493 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -44.34 -69.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 152.58 -20.87 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 25.5 mt-30 -37.02 -33.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -79.29 -50.84 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' GLY . 4.2 t30 -137.03 131.23 17.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 6.4 3.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.33 3.64 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.635 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.7 t -125.1 127.53 72.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.591 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.4 p30 -151.82 79.7 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.843 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -90.86 -6.19 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.4 t -59.69 -29.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -51.78 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' LEU . 2.7 m -62.97 -58.63 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -34.07 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 34.2 t30 -82.28 51.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -108.72 -93.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -110.93 176.24 18.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 15.6 mt-30 -48.95 106.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 11.1 m-30 -114.17 -171.94 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.876 HG23 ' HB ' ' A' ' 151' ' ' THR . 22.9 m -150.05 86.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.719 HG12 ' HB2' ' A' ' 70' ' ' ALA . 53.7 t -51.22 134.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.642 ' HE1' HG21 ' A' ' 135' ' ' VAL . 8.4 m-85 -125.31 68.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.77 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -93.62 127.83 44.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -140.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.737 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.0 113.09 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 155' ' ' ILE . 40.6 p -53.39 174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' HA ' HG21 ' A' ' 42' ' ' THR . 4.1 p-10 -65.24 -37.35 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.37 -14.35 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -76.06 -47.8 23.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 45.6 m-85 -70.4 -50.14 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -43.06 -52.76 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.8 mtmp? -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.495 HD11 ' HB ' ' A' ' 158' ' ' VAL . 17.9 mt -47.08 146.48 2.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.99 141.68 26.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.4 -43.52 2.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.0 p -49.05 -43.55 40.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.59 -47.6 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.23 -45.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -17.53 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 89' ' ' THR . 1.5 tp10 -85.36 -43.03 14.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' O ' HD22 ' A' ' 94' ' ' LEU . 6.8 mt -58.68 -17.99 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -90.88 24.82 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 86' ' ' GLU . 9.0 t -170.0 32.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 91' ' ' SER . 97.5 m-20 -115.18 -87.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 m 85.73 -4.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.49 -41.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -88.68 -24.71 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.036 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -43.13 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -54.56 -52.65 61.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.581 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -45.92 -35.36 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.914 HG22 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -70.31 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.036 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -47.83 -56.92 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.566 ' HB ' ' CD2' ' A' ' 119' ' ' LEU . 17.0 p -48.75 -49.68 37.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.88 ' CD1' HG21 ' A' ' 118' ' ' THR . 11.0 t80 -62.54 -16.29 55.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.691 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.7 m-70 -91.01 20.37 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -158.11 122.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.903 HG22 ' HA ' ' A' ' 118' ' ' THR . 8.7 t -100.82 154.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.28 102.97 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 130.52 81.18 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -32.85 137.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.5 m -150.87 153.27 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.412 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.9 p -97.36 167.66 11.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.508 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 50.47 2.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -140.3 -46.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -100.42 -30.69 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -45.45 -27.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.724 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.6 p -58.47 147.0 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.95 -176.85 23.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.8 m -75.59 93.62 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.542 ' CB ' HG23 ' A' ' 124' ' ' VAL . 6.0 mmp_? -81.93 175.78 10.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -122.89 96.56 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.925 HG23 HG22 ' A' ' 124' ' ' VAL . 1.8 p -58.45 157.67 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.978 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -66.08 -20.89 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.978 ' N ' HD23 ' A' ' 119' ' ' LEU . 33.5 tp60 -68.7 -15.63 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.91 1.77 56.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.728 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -98.76 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 m -106.7 151.07 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.925 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -124.1 109.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 125' ' ' THR . 2.8 m -67.99 65.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 124' ' ' VAL . 3.1 t -60.05 148.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.724 ' HA ' HG23 ' A' ' 113' ' ' VAL . 20.1 m -156.42 175.24 14.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.528 ' H ' HG22 ' A' ' 127' ' ' THR . . . 158.52 165.85 16.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.38 -48.54 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.78 -55.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -119.0 24.69 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.08 91.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.69 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.3 OUTLIER -96.99 147.44 23.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.7 mtpt -139.32 161.83 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.989 ' CG1' HD11 ' A' ' 159' ' ' LEU . 1.1 t -156.7 114.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.08 -51.96 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.542 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -175.96 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.823 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -64.3 165.46 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.427 ' OD2' ' CG ' ' A' ' 156' ' ' ASP . 7.0 m-20 -103.95 122.22 44.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.69 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 53.4 t -63.68 124.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 72' ' ' THR . 2.7 t -92.13 -54.55 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 36.9 t -152.69 109.11 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 159.52 13.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.36 20.07 46.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.143 HG13 HG22 ' A' ' 22' ' ' VAL . 2.0 t -89.28 58.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 46.7 m -45.0 127.81 6.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.756 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.5 p -92.43 -100.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -106.29 -62.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -135.28 38.22 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -170.27 145.88 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.876 ' HB ' HG23 ' A' ' 67' ' ' THR . 22.9 m -80.39 178.38 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.617 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -143.45 127.2 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.496 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.1 m-85 -134.81 90.51 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.4 mtm -61.26 142.47 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 72' ' ' THR . 0.3 OUTLIER -135.97 169.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.8 p-10 -111.24 39.46 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.823 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -165.47 144.94 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 158' ' ' VAL . 54.6 t -80.32 71.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.989 HD11 ' CG1' ' A' ' 135' ' ' VAL . 12.2 mt -26.38 137.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.684 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -128.89 146.29 59.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.581 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 136.11 20.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.728 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.0 59.73 5.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.46 1.768 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.555 ' C ' HD22 ' A' ' 3' ' ' LEU . 18.6 t0 -133.99 81.21 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.664 ' N ' HD22 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -103.01 -168.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 109' ' ' PRO . 16.6 m -131.57 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.53 15.2 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -54.72 -42.9 79.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -41.17 -57.59 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.52 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 3.1 tt0 -43.81 -58.52 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 14' ' ' ALA . 70.5 t80 -38.29 -60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.85 -42.26 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -59.85 -45.13 93.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.46 -45.28 84.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.862 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 55.5 m-80 -125.02 74.39 66.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 18' ' ' GLY . 16.7 p -114.27 -19.85 11.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.536 ' C ' ' HG ' ' A' ' 21' ' ' SER . . . -46.51 175.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.28 11.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.862 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -79.67 1.41 26.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.536 ' HG ' ' C ' ' A' ' 18' ' ' GLY . 1.3 m -79.23 177.58 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.575 HG12 HG13 ' A' ' 145' ' ' VAL . 1.3 m -71.57 -37.87 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.16 -35.95 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.96 -29.03 71.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.616 ' CG ' HG22 ' A' ' 147' ' ' THR . 21.6 ptp -94.89 -10.19 31.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 147' ' ' THR . 9.2 t -77.17 -10.26 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.49 -21.21 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 2.2 m-20 -104.36 165.27 13.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.06 135.62 19.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.652 ' CG1' ' HB3' ' A' ' 150' ' ' ALA . 1.5 m -19.25 -52.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.881 ' CB ' HG23 ' A' ' 58' ' ' VAL . . . -43.23 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.737 HG12 ' ND2' ' A' ' 36' ' ' ASN . 6.0 t -46.44 -40.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.693 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -47.1 -23.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.806 ' C ' HG21 ' A' ' 44' ' ' THR . . . -105.56 -24.11 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.595 ' N ' HG21 ' A' ' 44' ' ' THR . 1.1 t -74.84 1.62 12.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.737 ' ND2' HG12 ' A' ' 32' ' ' VAL . 22.9 m-80 -113.31 -39.9 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 1.002 ' O ' HG23 ' A' ' 41' ' ' THR . 4.6 m-20 -52.92 130.01 48.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.791 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 4.72 4.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm-40 -121.64 -4.52 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.708 HD22 ' HB1' ' A' ' 70' ' ' ALA . 16.6 mt -114.24 -33.19 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.002 HG23 ' O ' ' A' ' 37' ' ' ASN . 5.9 p -32.83 -39.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.4 m -66.84 -56.23 11.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.892 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.26 -53.38 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.806 HG21 ' C ' ' A' ' 34' ' ' ALA . 7.4 p -46.41 -64.24 0.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -34.78 -40.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.16 -72.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.749 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -47.96 -60.23 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.0 p -37.66 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.578 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.03 -19.46 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.11 -55.24 18.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.611 HD21 ' HE2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -75.4 -46.64 31.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.754 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -110.56 95.44 22.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.99 15.75 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.6 mt-30 -128.75 5.36 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.901 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -122.41 178.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 8.2 p30 175.91 123.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 60' ' ' THR . 81.6 mt -136.7 -43.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.881 HG23 ' CB ' ' A' ' 31' ' ' ALA . 1.3 p -26.41 -70.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.745 ' H ' HG13 ' A' ' 58' ' ' VAL . 9.6 m-20 -36.14 -51.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.617 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.4 m -67.81 -62.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' CD2' HG21 ' A' ' 102' ' ' VAL . 85.0 mt -35.22 -36.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.68 ' OD1' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-20 -86.2 51.61 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 2.1 m -175.88 107.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.77 126.92 5.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 9.9 mt-30 -47.0 107.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 8.4 m-30 -114.97 179.47 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.748 HG23 ' HB ' ' A' ' 151' ' ' THR . 4.0 m -144.97 87.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.859 HG12 ' HB2' ' A' ' 70' ' ' ALA . 18.3 t -53.72 127.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.656 ' HE1' HG21 ' A' ' 135' ' ' VAL . 11.0 m-85 -116.36 66.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.859 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.12 129.28 37.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -140.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.892 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 155' ' ' ILE . 72.9 p -58.21 168.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.44 -24.19 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.95 51.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.75 -47.23 40.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.682 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 34.9 m-85 -65.68 -38.74 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -43.62 67.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -44.25 -66.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.69 150.22 0.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.18 41.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -56.57 -56.38 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ALA . 8.4 m -38.09 -47.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.63 66.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.7 HG22 ' HE3' ' A' ' 88' ' ' LYS . 40.9 mm -57.72 -44.22 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.63 43.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.34 -35.97 12.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.5 mt -68.28 -15.33 63.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 84' ' ' ILE . 55.1 mttt -91.77 31.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 90' ' ' ASN . 5.0 t -171.97 -38.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.553 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.8 m-20 -38.36 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 2.2 t 88.63 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -105.62 29.7 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.522 HD23 ' CG ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -162.94 -43.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.901 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.23 -42.9 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.475 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.9 OUTLIER -48.73 -46.81 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.576 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.0 OUTLIER -51.55 -41.88 61.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG22 HD23 ' A' ' 98' ' ' LEU . 2.0 mt -63.07 -61.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.819 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -46.74 -53.12 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.542 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.4 p -52.79 -50.15 64.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.747 ' CE1' HG13 ' A' ' 124' ' ' VAL . 7.6 t80 -63.85 -10.57 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.802 ' CE1' HD11 ' A' ' 155' ' ' ILE . 20.5 m-70 -95.83 22.29 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -157.22 132.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 118' ' ' THR . 5.7 t -113.14 166.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.44 111.86 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 155.82 -53.38 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.455 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.31 101.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 111' ' ' ASN . 38.3 m -131.11 139.67 49.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.585 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.7 p -67.17 164.97 31.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.04 46.49 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -152.33 19.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.6 m-20 -153.05 -50.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.21 -40.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.575 HG13 ' HA ' ' A' ' 127' ' ' THR . 73.2 t -38.98 154.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.94 -122.44 7.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 m -136.17 115.58 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.54 ' HD3' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -109.45 166.59 10.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -112.5 99.65 8.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.854 HG23 HG22 ' A' ' 124' ' ' VAL . 4.1 p -58.73 146.43 36.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.051 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -49.51 -26.23 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 1.051 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -60.87 -50.46 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.12 -19.29 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.595 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -83.18 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 67.6 m -97.1 157.21 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.854 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -126.59 106.82 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -74.98 88.94 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.006 HG22 HG22 ' A' ' 135' ' ' VAL . 31.9 t -83.95 148.05 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.575 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -153.83 -174.72 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 126.23 -111.73 1.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 72.01 80.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 131' ' ' ASN . . . 114.12 65.53 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 130' ' ' GLY . 2.6 m120 61.2 143.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.419 ' C ' HD12 ' A' ' 133' ' ' LEU . 1.9 t 63.59 97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 132' ' ' SER . 8.6 mp -108.75 161.75 14.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -132.45 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.006 HG22 HG22 ' A' ' 126' ' ' VAL . 1.2 t -151.33 112.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.92 -54.76 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 135' ' ' VAL . 2.7 t30 -168.01 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.857 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -61.63 170.24 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.53 123.51 47.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.55 134.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.461 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -107.9 -47.22 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.9 t -154.96 99.46 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.09 173.52 16.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.14 16.1 80.94 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.575 HG13 HG12 ' A' ' 22' ' ' VAL . 1.8 t -83.21 52.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 69.1 m -39.59 132.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.693 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 2.6 p -103.18 -109.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.68 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -121.59 37.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.652 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -170.94 164.47 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.748 ' HB ' HG23 ' A' ' 67' ' ' THR . 19.8 m -100.8 -178.01 3.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.669 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -145.57 128.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.529 ' OH ' ' O ' ' A' ' 107' ' ' THR . 73.7 m-85 -137.88 90.13 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.496 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -62.36 138.78 58.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.802 HD11 ' CE1' ' A' ' 101' ' ' HIS . 8.5 pt -130.42 165.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' A' ' 157' ' ' SER . 19.7 p-10 -110.24 45.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.857 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -172.54 133.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 159' ' ' LEU . 71.1 t -75.33 80.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.606 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -38.37 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 7.3 mtp -148.27 146.7 23.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.576 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 127.24 10.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.759 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.595 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -75.02 107.35 2.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.81 175.97 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.696 ' CD1' HG21 ' A' ' 22' ' ' VAL . 3.4 mt -56.63 -172.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 143' ' ' GLY . 7.8 p -124.13 173.95 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.552 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.38 151.07 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -75.04 -66.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.774 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.52 -45.16 2.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.51 -40.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -56.9 -50.18 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.3 t80 -35.74 -65.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.3 -58.0 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -39.5 -43.69 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -51.25 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -122.35 81.53 45.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.94 -24.74 12.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -133.53 -159.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 81.31 175.22 49.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.819 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -81.55 -44.26 17.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -49.92 178.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.773 HG22 HG13 ' A' ' 145' ' ' VAL . 65.1 t -62.89 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.22 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -62.04 -63.24 4.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 16.9 ptp -59.99 -11.98 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 1.4 t -66.08 -49.91 65.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.27 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.88 155.29 41.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.06 148.93 35.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 3.5 p -26.96 -50.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.98 ' HB1' HG23 ' A' ' 58' ' ' VAL . . . -48.34 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -45.13 -44.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 147' ' ' THR . . . -45.99 -38.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -91.0 -26.74 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -4.09 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -100.32 -46.49 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.754 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -46.53 132.31 8.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -174.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.819 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.97 2.07 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.552 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 2.2 mm-40 -122.08 -2.77 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 16.5 mt -114.2 -32.8 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -35.04 -42.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.518 HG23 ' CD1' ' A' ' 76' ' ' PHE . 6.1 t -60.92 -53.45 57.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.852 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.19 -41.1 92.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.499 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 16.9 m -49.8 -62.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.13 -38.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.42 -69.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.749 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -54.85 -59.37 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.526 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 5.9 p -38.64 -61.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 139.03 -23.22 2.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 mt-30 -38.61 -45.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD21 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -61.17 -61.07 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.469 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -123.27 130.59 24.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 4.91 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -108.66 1.06 20.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.91 146.56 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -168.41 92.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 60' ' ' THR . 9.3 mp -100.72 -37.27 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.98 HG23 ' HB1' ' A' ' 31' ' ' ALA . 6.2 p -31.95 -58.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.564 ' H ' HG13 ' A' ' 58' ' ' VAL . 3.9 m-20 -48.75 -52.7 22.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.3 m -61.84 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.659 HD22 HG11 ' A' ' 102' ' ' VAL . 15.4 mt -30.0 -44.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' THR . 31.3 t30 -81.8 53.36 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' THR . 67.7 m -166.66 109.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 85.42 131.46 2.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -44.14 108.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.802 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.6 m-30 -114.84 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.986 HG23 ' HB ' ' A' ' 151' ' ' THR . 80.1 m -153.87 89.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.865 HG12 ' HB2' ' A' ' 70' ' ' ALA . 5.3 t -53.65 144.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.431 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 6.8 m-85 -132.26 63.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.865 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.59 131.18 27.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -135.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.852 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.98 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.57 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.6 p -60.43 177.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.552 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 43.9 m-20 -61.66 -42.01 98.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.07 -18.34 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -75.98 -46.98 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 42.5 m-85 -75.13 -45.82 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -43.99 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 3.6 mtmp? -44.87 -61.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 HG11 ' A' ' 158' ' ' VAL . 21.9 mt -45.87 145.9 2.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.78 -50.19 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.94 -51.45 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.963 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.51 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.91 -47.8 81.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.404 HG22 ' CE ' ' A' ' 88' ' ' LYS . 34.9 mm -62.02 -51.85 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -21.18 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 7.7 tp10 -80.88 -41.76 22.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.692 ' O ' HD21 ' A' ' 51' ' ' LEU . 6.6 mt -61.39 -24.86 66.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 24.8 mttt -84.02 9.45 12.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 p -139.71 10.09 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.498 ' ND2' HD23 ' A' ' 93' ' ' LEU . 19.0 m-20 -109.96 -154.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 95' ' ' THR . 12.8 p 173.64 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -37.58 7.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.042 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.498 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -74.48 -38.62 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.067 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.73 -42.67 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.464 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.5 m -54.04 -53.09 57.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.464 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -44.62 -40.61 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.95 HG22 HD23 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -64.26 -64.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.067 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.79 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.894 ' HA ' HD21 ' A' ' 119' ' ' LEU . 6.8 p -48.85 -52.4 24.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.734 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -56.73 -17.7 9.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.693 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.4 m-70 -93.66 26.27 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.659 HG11 HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -148.14 159.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 118' ' ' THR . 3.0 t -143.34 134.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.47 105.29 17.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.47 91.27 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -44.85 126.62 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.467 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 55.9 m -136.86 143.51 43.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 p -81.44 161.7 61.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 51.58 2.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -140.71 -45.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 113' ' ' VAL . 24.8 m-20 -96.33 -30.52 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.94 -24.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.0 p -67.0 145.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.09 -110.45 2.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.6 m -136.65 104.6 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 116' ' ' ARG . 3.2 mmp_? -100.34 165.54 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -109.13 114.36 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.644 ' HA ' HG22 ' A' ' 103' ' ' VAL . 23.1 p -75.31 151.86 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.894 HD21 ' HA ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -62.62 -11.29 16.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.824 ' N ' HD23 ' A' ' 119' ' ' LEU . 8.8 tp60 -73.91 -34.26 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.11 -17.01 8.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 118' ' ' THR . . . -90.44 173.06 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 m -104.33 142.75 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.531 ' CG2' HG13 ' A' ' 135' ' ' VAL . 2.2 p -116.44 109.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -73.08 99.15 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 135' ' ' VAL . 17.1 t -91.44 158.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.65 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -153.8 177.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 142.47 -121.81 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 57.85 70.61 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.39 73.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.1 m120 42.3 44.76 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 t -171.94 145.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.441 HD12 ' CG2' ' A' ' 4' ' ' VAL . 5.8 mt -148.05 123.34 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -125.12 156.45 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.557 HG22 HG13 ' A' ' 126' ' ' VAL . 8.8 t -138.25 102.19 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.06 -49.99 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -167.6 -37.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.813 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -61.86 174.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.33 112.52 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 135' ' ' VAL . 21.7 t -52.2 98.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.774 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.69 -57.83 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 13.1 t -144.31 107.38 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.753 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -114.93 160.98 12.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.03 16.62 55.71 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.773 HG13 HG22 ' A' ' 22' ' ' VAL . 1.8 t -87.62 64.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.1 m -57.28 123.78 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 10.8 p -81.8 -107.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -105.5 -40.78 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 2.9 p30 -156.28 37.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.715 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -168.63 134.22 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.986 ' HB ' HG23 ' A' ' 67' ' ' THR . 53.4 m -78.58 170.05 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.1 t -140.12 129.28 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.674 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 86.4 m-85 -133.13 85.82 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -59.54 141.47 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.2 pp -136.68 169.97 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.471 ' O ' ' OG ' ' A' ' 157' ' ' SER . 8.6 p-10 -113.26 52.56 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.813 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -173.13 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 158' ' ' VAL . 55.3 t -74.52 69.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.626 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -33.41 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.734 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.5 mtt -136.71 146.01 53.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.464 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 123.51 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.49 5.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.3 164.13 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.6 mm? -113.14 -179.62 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 143' ' ' GLY . 32.2 m -118.3 136.13 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.45 152.59 9.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -45.58 -42.62 10.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -43.84 -28.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -69.7 -65.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -62.14 -50.99 69.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 72.4 t80 -37.88 -66.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.57 -48.96 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -52.01 -43.73 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.36 -49.88 30.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -118.09 82.22 17.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.09 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 -162.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.451 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.08 -177.64 54.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -11.7 21.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.47 28.66 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' MET . 86.0 p -111.99 178.62 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.988 HG22 HG13 ' A' ' 145' ' ' VAL . 37.1 t -74.31 -43.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 18.7 pt20 -84.79 -49.69 8.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 23' ' ' GLN . . . -46.88 -38.61 10.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.79 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.5 ptp -79.58 -20.11 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.2 OUTLIER -60.39 -32.79 71.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.01 -0.49 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.2 m-20 -111.22 144.68 30.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.02 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.694 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.1 p 31.52 -120.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.54 -71.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.9 t -34.04 -61.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.79 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -39.36 -67.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -50.1 -29.62 9.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.69 ' CB ' HG21 ' A' ' 44' ' ' THR . 1.5 p -77.61 44.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 34' ' ' ALA . 23.0 m-80 -163.92 -38.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.947 ' O ' HG23 ' A' ' 41' ' ' THR . 3.7 m-20 -51.42 131.34 34.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 170.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.835 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.94 3.93 5.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.443 1.759 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -119.97 -7.5 9.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 34' ' ' ALA . 36.3 mt -110.76 -31.07 7.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.947 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.4 p -35.17 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.5 m -64.59 -55.63 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.819 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.97 -42.44 98.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.69 HG21 ' CB ' ' A' ' 35' ' ' SER . 51.9 m -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.7 -35.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.51 -69.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -52.59 -59.8 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.489 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 3.0 p -37.93 -60.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 135.82 -19.63 3.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.04 -50.98 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.492 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -59.97 -64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 89' ' ' THR . 0.5 OUTLIER -112.07 126.31 28.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 3.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -112.8 5.73 17.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.665 HG21 ' CD2' ' A' ' 94' ' ' LEU . 38.7 t -117.89 147.42 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -170.7 94.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.5 mm? -94.76 -48.77 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -24.7 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.77 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.3 t70 -32.86 -50.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.595 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.8 m -63.8 -72.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.452 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.954 HD22 HG21 ' A' ' 102' ' ' VAL . 16.3 mt -38.11 -36.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -80.43 49.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -136.07 -82.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.574 ' O ' ' CD2' ' A' ' 66' ' ' TYR . . . -96.62 173.61 29.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -64.44 133.44 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.279 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.803 ' HB3' HG23 ' A' ' 102' ' ' VAL . 59.6 m-85 -139.18 177.63 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.833 HG23 ' HB ' ' A' ' 151' ' ' THR . 19.5 m -142.95 87.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.924 HG12 ' HB2' ' A' ' 70' ' ' ALA . 43.4 t -52.4 129.41 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.642 ' CE1' HG21 ' A' ' 135' ' ' VAL . 13.8 m-85 -120.1 71.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.924 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.13 125.22 42.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -136.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.819 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 155' ' ' ILE . 20.7 p -52.89 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -81.38 -9.0 59.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.62 -14.68 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.612 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -74.22 -32.15 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.81 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.4 m-85 -85.62 -37.57 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 t -59.51 -26.83 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -53.71 -45.98 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.42 157.02 89.13 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.56 26.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.57 -35.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -52.49 57.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -45.8 90.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.747 HG22 ' CE ' ' A' ' 88' ' ' LYS . 36.1 mm -63.28 -46.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -12.67 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.88 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' HD21 ' A' ' 51' ' ' LEU . 6.2 mt -58.93 -19.69 44.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.747 ' CE ' HG22 ' A' ' 84' ' ' ILE . 12.4 mttt -89.97 25.79 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.565 ' N ' HD21 ' A' ' 52' ' ' ASN . 9.1 t -174.16 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.6 m-20 -119.92 -75.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.416 ' CB ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER 73.64 6.02 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.73 -57.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.944 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -76.75 -17.55 59.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.957 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -87.03 -51.33 6.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 55' ' ' VAL . 3.0 m -49.75 -45.97 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.475 ' HB2' ' CG ' ' A' ' 161' ' ' PRO . 85.6 p -49.53 -44.64 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.959 HG22 HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -63.86 -60.84 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.959 HD23 HG22 ' A' ' 97' ' ' ILE . 1.4 mt -42.21 -62.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.485 HG22 HD11 ' A' ' 119' ' ' LEU . 4.7 p -49.26 -45.25 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.658 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.2 t80 -66.98 -7.4 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.681 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.3 m-70 -103.1 22.44 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.954 HG21 HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -158.08 115.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.578 HG11 ' HG2' ' A' ' 116' ' ' ARG . 89.4 t -99.58 124.73 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' TYR . . . -80.66 114.68 19.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 156.51 -49.0 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 81.4 119.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.72 HG21 ' NH2' ' A' ' 116' ' ' ARG . 20.2 m -148.96 143.11 25.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 112' ' ' VAL . 60.2 p -74.13 163.04 71.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -74.98 48.1 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.61 19.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.565 ' O ' ' C ' ' A' ' 112' ' ' VAL . 23.6 m-20 -154.46 -51.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.565 ' C ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -27.22 -45.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 127' ' ' THR . 6.8 p -40.07 145.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.07 -112.97 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.4 m -152.99 102.65 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.72 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -95.07 -168.55 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.67 104.73 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.53 HG21 ' CD1' ' A' ' 100' ' ' TYR . 43.0 p -59.76 167.71 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.68 HD23 HG13 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -67.1 -25.52 66.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.2 tp60 -60.65 -19.82 59.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.15 -6.91 54.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.869 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -92.32 156.51 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.0 m -86.98 140.46 29.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.423 HG11 HG21 ' A' ' 103' ' ' VAL . 2.4 p -113.77 105.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.8 m -70.23 114.81 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.787 HG13 HG23 ' A' ' 135' ' ' VAL . 3.5 t -109.37 146.43 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.656 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -154.12 168.67 25.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 157.95 -152.12 23.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 1.2 pt20 161.39 -36.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.462 ' O ' ' CD1' ' A' ' 133' ' ' LEU . . . -146.7 -146.16 4.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' SER . 36.0 m120 -71.03 70.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER 164.06 79.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 130' ' ' GLY . 10.2 mp -95.3 159.49 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 138' ' ' ALA . 13.3 mttt -135.61 157.15 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.033 ' O ' HD11 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -151.09 100.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 80.84 -27.61 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER 156.64 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -71.99 169.35 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.4 115.5 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 154' ' ' MET . 39.9 t -53.49 111.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.573 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -78.87 -45.72 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.29 104.1 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.76 166.0 12.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.1 16.44 67.26 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.988 HG13 HG22 ' A' ' 22' ' ' VAL . 1.6 t -84.17 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.6 m -40.96 124.08 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.538 ' CG2' ' CB ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -91.56 -96.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.137 . . . . 0.0 110.407 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -111.75 -78.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -116.73 24.54 11.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -156.15 155.91 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.833 ' HB ' HG23 ' A' ' 67' ' ' THR . 25.5 m -93.64 178.74 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.63 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -143.74 126.95 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.559 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 87.6 m-85 -135.27 86.27 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.557 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -55.71 147.67 18.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' THR . 0.5 OUTLIER -141.49 -171.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.71 29.99 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.851 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 19.4 m -160.86 139.27 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 158' ' ' VAL . 0.8 OUTLIER -76.12 23.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.033 HD11 ' O ' ' A' ' 135' ' ' VAL . 1.2 mp 32.95 -159.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.658 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 170.4 139.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.475 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.04 130.17 12.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.869 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -74.98 94.62 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -89.38 62.8 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mp -97.83 -172.53 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 109' ' ' PRO . 27.6 m -132.66 135.25 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.94 151.49 7.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 176.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -75.02 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.48 -49.65 5.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.93 -36.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -58.88 -75.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.677 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -56.23 -51.69 67.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' ALA . 73.7 t80 -35.83 -64.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.77 -44.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.4 -50.98 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.71 -50.77 48.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -116.65 84.67 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -120.53 151.36 39.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.6 -166.87 21.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -52.01 -23.01 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.517 ' O ' ' HE3' ' A' ' 25' ' ' MET . 4.4 m -61.14 171.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.002 ' HB ' HG13 ' A' ' 145' ' ' VAL . 15.5 m -92.67 50.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -167.16 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -30.03 7.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.634 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.2 ptp -67.87 -10.99 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' C ' ' A' ' 147' ' ' THR . 12.5 t -61.26 -54.28 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.63 -20.08 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -94.13 137.99 22.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.613 ' HA ' ' HB3' ' A' ' 148' ' ' ALA . 18.3 Cg_endo -75.0 100.49 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.86 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 2.4 p 29.42 -106.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.751 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -16.46 -75.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 94.9 t -36.28 -61.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.96 -68.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.94 -29.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.732 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -81.5 46.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -154.64 -44.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 t-20 -55.36 134.73 69.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.11 3.83 5.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.09 -5.12 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' ' 70' ' ' ALA . 54.6 mt -112.35 -28.91 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -38.65 -35.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -51.49 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.904 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.97 -54.04 40.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.732 HG21 ' CB ' ' A' ' 35' ' ' SER . 2.0 m -45.48 -56.1 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.66 -40.23 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.53 -71.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.709 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -47.39 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.527 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -44.04 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.09 -20.59 1.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -47.0 -22.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -110.62 -44.48 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.899 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -111.78 95.93 30.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 12.3 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 52' ' ' ASN . 6.8 mt-30 -120.89 -3.4 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.899 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -123.44 176.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.8 p30 177.77 103.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.632 ' O ' ' C ' ' A' ' 58' ' ' VAL . 4.3 mm? -102.56 -45.75 4.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.649 HG13 ' H ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -20.17 -74.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' H ' HG13 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -34.55 -58.79 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.4 m -57.82 -53.36 59.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' CD2' HG21 ' A' ' 102' ' ' VAL . 10.0 mt -40.72 -44.79 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.95 49.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' THR . 28.9 m -110.92 -91.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.19 178.62 19.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.1 mt-30 -54.63 106.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -113.3 -177.95 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.956 HG23 ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.94 89.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.083 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.9 HG12 ' HB2' ' A' ' 70' ' ' ALA . 98.8 t -55.01 132.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.688 ' CD2' HG23 ' A' ' 103' ' ' VAL . 13.3 m-85 -122.9 74.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.9 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -103.83 124.24 38.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -137.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.904 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.05 122.21 7.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 155' ' ' ILE . 8.8 p -53.58 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -85.61 -7.17 58.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.7 -13.64 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -73.96 -29.07 61.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 37.8 m-85 -91.46 -42.52 10.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -51.29 -23.17 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmp? -63.98 -31.33 72.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 158' ' ' VAL . 17.0 mt -78.83 153.54 77.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 136.77 20.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.76 -49.13 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 t -41.03 -50.79 3.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -51.54 69.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.571 HG22 ' CE ' ' A' ' 88' ' ' LYS . 35.7 mm -58.72 -53.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -48.83 -22.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 89' ' ' THR . 6.0 tp10 -88.68 -40.19 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.576 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.2 mt -65.6 -11.72 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.571 ' CE ' HG22 ' A' ' 84' ' ' ILE . 3.2 mtmp? -94.45 32.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.8 t -164.48 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' ND2' HD23 ' A' ' 87' ' ' LEU . 6.7 m-20 -60.39 172.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 p -158.6 24.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.22 -46.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -76.89 -28.36 55.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.846 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -89.05 -55.25 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -43.74 -35.88 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -61.94 -41.13 97.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.508 HG13 ' CD ' ' A' ' 161' ' ' PRO . 3.5 mt -67.66 -50.4 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.846 HD21 ' CD1' ' A' ' 94' ' ' LEU . 1.5 mt -49.6 -64.87 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 102' ' ' VAL . 31.5 p -48.02 -50.11 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.722 ' CE2' ' O ' ' A' ' 160' ' ' MET . 24.0 t80 -57.76 -19.4 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.715 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 33.4 m-70 -91.27 22.25 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -159.59 124.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.921 HG11 ' CD ' ' A' ' 116' ' ' ARG . 14.8 t -108.23 148.03 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.735 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -87.17 95.68 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.05 105.5 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.44 113.93 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.412 ' HB ' HG13 ' A' ' 112' ' ' VAL . 5.7 m -122.54 151.01 41.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.622 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 54.1 p -88.71 161.28 42.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 47.98 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -156.19 21.77 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.544 ' O ' ' N ' ' A' ' 113' ' ' VAL . 47.9 m-20 -155.69 -50.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.07 -39.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.2 t -37.9 141.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.06 -167.31 15.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 91.4 m -76.24 111.57 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.921 ' CD ' HG11 ' A' ' 103' ' ' VAL . 5.8 tpm_? -115.78 121.41 42.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.881 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.5 tt0 -79.94 113.71 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.549 ' HA ' HG13 ' A' ' 103' ' ' VAL . 5.1 p -85.75 174.33 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 104' ' ' ALA . 10.6 mt -53.94 -57.65 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -38.18 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.92 -29.41 8.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -63.79 172.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.3 129.58 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.666 ' CG2' HG13 ' A' ' 135' ' ' VAL . 9.1 p -103.98 119.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.2 m -79.03 109.92 13.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.02 HG22 HG22 ' A' ' 135' ' ' VAL . 42.3 t -102.26 148.14 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -155.16 178.66 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.47 176.08 14.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -147.27 -62.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -119.7 -119.47 2.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -78.42 57.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.601 ' O ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER 178.65 111.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' A' ' 140' ' ' VAL . 10.3 mp -127.58 158.19 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 135' ' ' VAL . 4.8 mttt -134.17 161.03 36.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.02 HG22 HG22 ' A' ' 126' ' ' VAL . 1.8 t -158.65 120.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.63 44.0 6.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.9 t30 88.16 -36.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.811 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -53.55 171.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.2 m-20 -121.66 115.13 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 133' ' ' LEU . 75.3 t -57.92 118.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 72' ' ' THR . 2.1 t -92.56 -40.97 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.8 t -163.24 103.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.5 164.0 12.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.79 21.29 56.26 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.002 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.2 t -90.98 52.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 71.6 m -44.76 133.28 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.7 p -97.9 -101.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.93 -62.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -138.08 23.07 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.86 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -148.01 142.58 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.956 ' HB ' HG23 ' A' ' 67' ' ' THR . 43.2 m -84.47 172.61 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.52 ' N ' HG22 ' A' ' 151' ' ' THR . 1.3 t -138.55 128.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 151' ' ' THR . 78.8 m-85 -136.41 87.09 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.9 mtm -56.71 142.1 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.811 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 2.0 pt -137.02 173.97 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.6 p-10 -110.62 36.14 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.626 ' CA ' ' HB1' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -170.53 143.92 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.89 HG23 ' CG ' ' A' ' 160' ' ' MET . 4.2 m -76.09 37.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER 34.43 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.89 ' CG ' HG23 ' A' ' 158' ' ' VAL . 14.1 mtp 86.08 138.82 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.508 ' CD ' HG13 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 115.68 4.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.8 17.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.83 56.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.453 HD13 HG21 ' A' ' 22' ' ' VAL . 2.7 mp -91.54 -171.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 5' ' ' GLY . 12.0 p -109.05 165.05 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 90.37 156.18 32.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.98 -36.79 5.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -42.28 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -75.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.745 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -40.98 -53.51 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 64.9 t80 -43.76 -62.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.33 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -62.2 -43.54 98.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 -48.87 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -117.04 83.7 15.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.1 p -147.39 114.73 6.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.27 -149.85 7.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.52 5.29 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -87.11 -105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ALA . 86.9 p 39.99 -162.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.755 HG22 HG13 ' A' ' 145' ' ' VAL . 51.2 t -93.13 -25.08 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -96.72 -30.67 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.38 -23.17 59.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.482 ' CE ' HG11 ' A' ' 145' ' ' VAL . 15.8 ptp -96.7 -13.23 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -66.59 -74.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.996 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.5 mt-30 -38.21 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' SER . 67.7 m-20 -95.39 152.29 39.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.725 ' HA ' ' HB3' ' A' ' 148' ' ' ALA . 18.2 Cg_endo -75.04 157.96 42.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.648 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 1.9 p -29.95 -43.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -56.23 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.659 HG12 ' OD1' ' A' ' 36' ' ' ASN . 94.3 t -38.7 -39.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.568 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.21 -46.7 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.24 -25.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.656 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -72.09 -0.98 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.659 ' OD1' HG12 ' A' ' 32' ' ' VAL . 33.8 m120 -107.14 -38.51 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.977 ' O ' HG23 ' A' ' 41' ' ' THR . 3.5 m-20 -59.2 131.02 87.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 1.93 7.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.673 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.5 mm-40 -115.96 -3.74 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 39' ' ' GLU . 12.0 mt -119.9 -32.73 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.977 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.5 p -33.41 -37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -67.64 -56.91 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.931 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.62 -54.0 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.796 ' HA ' HD11 ' A' ' 47' ' ' LEU . 52.1 m -44.96 -62.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.2 -42.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -62.52 -72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -45.08 -64.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 1.061 ' HA ' HG23 ' A' ' 58' ' ' VAL . 1.3 p -37.25 -55.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.98 -22.21 3.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -44.09 -50.64 8.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD21 ' HZ2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -74.22 -48.86 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 1.017 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.53 99.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 11.84 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.485 ' CB ' ' CB ' ' A' ' 91' ' ' SER . 4.0 mt-30 -114.05 1.33 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.017 HG12 ' HB2' ' A' ' 52' ' ' ASN . 5.2 p -147.12 145.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.486 ' CG ' ' O ' ' A' ' 48' ' ' SER . 1.1 t30 -145.31 124.51 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 61' ' ' LEU . 44.1 mt -111.07 -30.44 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 1.061 HG23 ' HA ' ' A' ' 48' ' ' SER . 32.1 t -24.61 -66.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -46.88 -63.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' LEU . 84.8 m -52.16 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.781 HD23 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -39.0 -41.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -86.74 52.82 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 m -168.79 110.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.76 143.04 6.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.1 OUTLIER -58.96 117.84 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 5.6 m-30 -116.02 -174.02 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.975 HG23 ' HB ' ' A' ' 151' ' ' THR . 45.3 m -152.88 85.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.883 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.5 t -51.3 138.16 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.0 m-85 -127.07 64.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.883 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.47 130.23 32.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -135.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.931 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.01 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.577 HG21 HG21 ' A' ' 141' ' ' VAL . 30.3 p -57.73 172.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.536 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 2.1 m120 -58.06 -30.35 66.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.48 -20.98 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.28 -41.67 56.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.726 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 43.9 m-85 -78.82 -50.26 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -44.67 -25.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 76' ' ' PHE . 3.4 mtmp? -61.89 -58.15 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.418 ' HB3' HG21 ' A' ' 83' ' ' THR . 15.2 mt -55.08 152.23 14.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.86 36.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.86 53.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -47.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.418 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.17 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.908 HG22 ' HD2' ' A' ' 88' ' ' LYS . 42.1 mm -55.79 -55.9 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.95 -18.75 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' THR . 0.4 OUTLIER -86.21 -44.43 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD23 ' ND2' ' A' ' 90' ' ' ASN . 4.9 mt -63.23 -22.56 66.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.908 ' HD2' HG22 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -88.88 34.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.0 t -171.67 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.515 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.3 m-20 -43.0 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER 68.33 13.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -43.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -90.52 -27.74 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.737 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.27 -48.79 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 99' ' ' THR . 3.0 t -40.53 -45.73 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.9 -48.43 78.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.762 HG22 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -56.84 -57.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -50.35 -64.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.4 p -46.75 -43.33 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.65 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.2 t80 -68.53 -15.09 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.711 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 13.7 m-70 -95.19 19.15 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.622 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -156.09 115.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 117' ' ' GLN . 56.9 t -92.95 146.03 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.02 103.64 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.94 99.84 0.89 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.3 OUTLIER -57.73 156.43 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.604 HG21 HH22 ' A' ' 116' ' ' ARG . 54.7 m -152.58 -102.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.8 OUTLIER 162.54 162.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 54.07 3.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.47 -45.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.43 ' C ' ' N ' ' A' ' 113' ' ' VAL . 4.3 m-20 -99.8 -37.56 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.65 HG23 ' NH2' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -42.53 -28.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.43 ' N ' ' C ' ' A' ' 111' ' ' ASN . 17.9 t -50.09 156.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.87 -172.81 54.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 45.6 m -59.49 140.76 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.367 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.897 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -149.54 122.73 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.778 ' O ' HG13 ' A' ' 103' ' ' VAL . 30.1 tt0 -71.22 126.8 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.652 ' HA ' HG22 ' A' ' 103' ' ' VAL . 77.6 p -88.21 171.92 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.695 HD12 ' C ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -65.35 -26.27 67.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.3 tp60 -72.19 -6.58 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.14 -40.48 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -54.83 -173.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 p -125.13 148.31 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.897 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.7 p -119.19 128.39 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.3 m -83.43 97.45 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.867 HG13 ' CG2' ' A' ' 135' ' ' VAL . 3.0 t -92.28 150.43 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -149.54 173.99 13.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -164.49 139.91 6.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -170.39 62.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.283 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 107.4 -169.59 14.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.86 66.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 0.79 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.19 65.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.673 ' HB2' HG21 ' A' ' 140' ' ' VAL . 4.2 mt -59.52 177.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.1 OUTLIER -135.04 159.07 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.867 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.1 t -161.1 131.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 22.99 77.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.7 m120 44.24 54.54 6.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 135' ' ' VAL . . . -149.09 164.17 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 8.5 m-20 -115.22 117.68 31.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 133' ' ' LEU . 74.0 t -61.78 109.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.638 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -79.37 -53.99 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.0 t -151.54 105.78 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.54 165.35 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.53 23.02 57.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.755 HG13 HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -94.39 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 34.2 m -49.68 135.23 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.568 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 17.1 p -93.64 -116.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -96.0 -32.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -167.3 42.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -171.22 132.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.975 ' HB ' HG23 ' A' ' 67' ' ' THR . 52.8 m -73.6 168.37 19.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.555 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.3 t -137.86 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.691 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.4 m-85 -137.52 87.69 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.489 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -61.09 138.71 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.75 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.3 pp -136.37 165.68 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.467 ' O ' ' OG ' ' A' ' 157' ' ' SER . 22.7 p-10 -109.71 52.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.627 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 3.8 m -171.38 128.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 75' ' ' ALA . 69.0 t -73.91 78.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.711 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 2.5 mp -39.05 158.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.65 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.1 mtt -146.75 143.49 18.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.491 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 119.95 5.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.03 179.32 6.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -154.84 69.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? -101.2 -178.89 3.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -121.77 111.56 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.89 153.5 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.94 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.803 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.37 -48.95 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.41 -30.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -71.07 -69.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.47 -55.53 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' GLY . 57.2 t80 -43.33 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -44.82 -58.03 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.78 -28.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -92.11 -39.92 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.6 m-80 -125.4 74.19 68.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.59 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -125.74 -150.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.14 176.38 18.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -10.71 21.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.595 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -78.76 -34.83 45.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 p -40.91 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.813 HG13 HG13 ' A' ' 145' ' ' VAL . 11.6 t -57.41 -32.68 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -94.12 -28.28 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -63.9 -30.89 79.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.695 ' HG3' HG22 ' A' ' 147' ' ' THR . 8.2 ptp -83.35 -17.05 43.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.4 OUTLIER -62.82 -31.75 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.19 -14.76 58.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -94.11 142.2 24.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.0 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.796 HG11 ' O ' ' A' ' 61' ' ' LEU . 10.9 p 31.34 -120.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.768 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.7 -69.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 35' ' ' SER . 89.1 t -33.5 -61.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.62 -68.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -50.68 -46.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.594 ' CB ' HG21 ' A' ' 44' ' ' THR . 38.5 t -57.38 -16.39 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.53 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.5 m120 -129.38 17.98 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.588 ' O ' HG23 ' A' ' 41' ' ' THR . 3.1 m-20 -89.78 129.98 44.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 146.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.621 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.03 12.54 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.758 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.6 mt-10 -120.24 -19.34 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.027 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.87 -10.61 17.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.621 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 80.9 p -36.26 -36.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' LEU . 17.1 m -67.38 -55.28 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -55.28 -47.91 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.594 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -49.91 -59.22 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.27 -37.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.752 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.21 -69.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.753 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.52 ' HA ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -37.69 -56.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.04 -20.5 4.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -42.46 -37.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -74.05 -58.86 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.867 ' HB3' HG13 ' A' ' 55' ' ' VAL . 1.3 t30 -123.07 132.24 24.29 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.76 21.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' N ' ' CD ' ' A' ' 54' ' ' GLN . 2.0 mp0 -98.01 -7.12 30.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.896 HG11 HD23 ' A' ' 94' ' ' LEU . 3.3 m -106.99 135.1 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.848 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -166.93 96.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.913 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -103.69 -43.48 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.749 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -19.74 -78.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.749 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -32.07 -57.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.606 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -58.86 -50.04 75.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.796 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.09 -27.58 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.86 47.6 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -165.83 109.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.13 143.9 14.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.6 mt-30 -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -111.2 -169.79 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.969 HG23 ' HB ' ' A' ' 151' ' ' THR . 95.6 m -153.73 90.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 70' ' ' ALA . 3.9 t -51.9 144.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 10.7 m-85 -135.74 65.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.867 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -102.34 128.17 28.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -136.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.801 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.02 112.55 3.59 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 35.5 p -62.61 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -76.62 -30.83 57.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.79 21.23 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.81 -38.46 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.801 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 46.0 m-85 -88.54 -27.58 21.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.31 -10.02 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -29.71 61.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt -88.22 157.13 51.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.9 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 18.0 p -50.82 -36.99 40.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -48.66 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.751 HG22 ' HE3' ' A' ' 88' ' ' LYS . 33.0 mm -60.94 -68.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ILE . 11.3 t70 -38.21 -31.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.649 ' O ' HG22 ' A' ' 89' ' ' THR . 0.9 OUTLIER -72.32 -48.1 44.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.583 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.5 mt -49.16 -33.07 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.751 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.2 28.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 86' ' ' GLU . 12.4 t -172.09 30.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.695 ' ND2' HD23 ' A' ' 93' ' ' LEU . 75.7 m-20 -119.38 -69.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.511 ' HB3' ' ND2' ' A' ' 52' ' ' ASN . 1.4 p 70.56 8.42 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -44.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.695 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -87.58 -28.39 21.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.896 HD23 HG11 ' A' ' 55' ' ' VAL . 2.4 tp -74.31 -53.9 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.458 HG23 HD21 ' A' ' 57' ' ' LEU . 29.9 m -53.9 -39.59 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.573 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.6 -40.36 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 101' ' ' HIS . 2.1 mt -64.17 -62.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -40.88 -59.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 1.056 HG22 HD11 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -45.85 -52.34 11.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.854 ' CE1' HG13 ' A' ' 124' ' ' VAL . 2.0 t80 -57.92 -20.53 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.661 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 88.6 m-70 -89.88 24.28 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.845 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.1 t -154.08 136.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 117' ' ' GLN . 61.0 t -125.74 133.43 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.02 110.42 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.31 79.33 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -44.04 130.08 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.333 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.1 m -150.59 126.52 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.5 p -55.42 167.38 0.74 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.07 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -135.47 -44.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 6.3 m120 -99.07 -17.91 18.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.492 HG13 HG11 ' A' ' 126' ' ' VAL . 1.5 p -66.74 -9.98 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 110' ' ' ALA . 11.4 p -75.07 154.69 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.84 -163.36 26.95 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 m -78.21 106.47 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.525 ' CB ' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -104.05 -175.05 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.901 ' O ' HG13 ' A' ' 103' ' ' VAL . 36.3 tt0 -135.57 133.99 38.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.745 HG21 ' CD1' ' A' ' 100' ' ' TYR . 16.8 p -105.08 152.36 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 99' ' ' THR . 0.7 OUTLIER -47.5 -25.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.51 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -60.44 -51.26 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.79 -22.13 3.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 159.04 23.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 p -85.67 157.72 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.854 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -122.75 104.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.6 m -70.01 81.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.068 HG22 HG22 ' A' ' 135' ' ' VAL . 21.1 t -79.35 150.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.496 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -155.11 169.87 23.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 177.15 151.23 8.91 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -136.08 -75.95 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -126.81 -44.21 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -161.4 37.24 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 71.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 6.3 mp -80.06 153.23 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -136.69 165.5 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.068 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -160.17 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.92 -80.68 1.67 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -150.22 20.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -125.04 173.39 8.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -116.8 125.53 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 97.0 t -59.72 117.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.803 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -83.19 -37.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 43.0 t -170.75 105.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.69 164.73 12.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.74 66.33 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.813 HG13 HG13 ' A' ' 22' ' ' VAL . 1.1 t -86.59 54.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 49.6 m -40.41 117.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.695 HG22 ' HG3' ' A' ' 25' ' ' MET . 21.1 p -84.03 -101.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -104.2 -76.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.5 p30 -124.2 42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.11 136.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.969 ' HB ' HG23 ' A' ' 67' ' ' THR . 97.6 m -69.88 171.27 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -134.52 128.01 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 82.3 m-85 -137.0 88.31 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.542 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 12.2 mtm -65.19 152.81 42.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.665 ' CA ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -144.98 -177.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.96 27.94 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.85 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -159.24 145.0 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.9 OUTLIER -77.21 21.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.963 HD21 ' CG1' ' A' ' 135' ' ' VAL . 0.1 OUTLIER 46.41 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.61 ' N ' ' O ' ' A' ' 158' ' ' VAL . 1.5 mtm 88.42 139.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.573 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 160' ' ' MET . 18.4 Cg_endo -75.01 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.87 156.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.2 mm? -79.24 175.02 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.451 HG23 HD22 ' A' ' 133' ' ' LEU . 2.8 m -125.8 118.83 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.45 148.8 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -171.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.782 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.58 -40.42 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -39.43 -31.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.01 -69.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.68 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 5.9 mt-10 -46.36 -53.08 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 58.5 t80 -44.07 -63.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.16 -47.96 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -41.97 -39.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.12 -44.06 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -124.79 81.08 61.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.09 7.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -131.06 -171.21 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.94 -178.4 32.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.26 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -84.46 -29.01 26.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 34.9 p -39.44 156.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.684 ' HB ' HG13 ' A' ' 145' ' ' VAL . 4.4 m -69.04 -9.26 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -113.04 -25.79 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.75 -42.2 32.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.795 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.0 ptp -59.79 -13.47 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -65.21 -38.67 91.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -69.71 -6.76 33.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.51 ' CG ' HG12 ' A' ' 32' ' ' VAL . 75.7 m-20 -103.84 142.33 24.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.96 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.708 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.3 p 35.34 -124.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.708 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -6.92 -70.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.58 -63.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.795 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.13 -67.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.702 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -49.67 -47.77 49.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.594 ' O ' HG22 ' A' ' 41' ' ' THR . 5.5 t -41.96 -32.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 10.5 m120 -135.48 35.56 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.727 ' O ' HG23 ' A' ' 41' ' ' THR . 0.8 OUTLIER -84.88 131.51 48.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 127.262 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 10.23 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.434 1.755 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.799 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -119.83 -16.53 8.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.035 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.84 -15.1 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -38.83 -34.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.9 m -70.1 -51.95 27.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.868 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -55.48 -49.28 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.656 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -50.37 -60.3 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.52 -37.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.04 -72.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -45.28 -61.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.555 ' HA ' HG12 ' A' ' 58' ' ' VAL . 3.9 t -44.33 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.0 -20.49 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.519 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 10.8 mt-30 -41.65 -25.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -90.58 -53.02 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.832 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -125.55 129.15 24.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 4.19 4.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -118.02 5.05 12.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.832 HG13 ' HB3' ' A' ' 52' ' ' ASN . 4.1 m -118.9 132.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.5 p30 -155.36 92.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 60' ' ' THR . 2.5 mm? -97.28 -38.59 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 59' ' ' ASP . 7.6 p -40.21 -58.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.574 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.5 m-20 -49.78 -32.72 14.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -82.55 -65.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.593 HD22 HG21 ' A' ' 102' ' ' VAL . 3.4 mt -32.18 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' THR . 1.2 m-20 -81.53 51.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.9 m -124.64 -89.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.58 172.81 25.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.8 mt-30 -63.02 110.01 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 15.5 m-30 -115.36 -168.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.977 HG23 ' HB ' ' A' ' 151' ' ' THR . 25.9 m -148.51 86.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 70' ' ' ALA . 74.4 t -49.93 136.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 103' ' ' VAL . 9.3 m-85 -129.34 67.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.766 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.91 126.39 35.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -138.65 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.868 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.559 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 40.8 p -53.93 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.427 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' GLU . 2.7 m-20 -79.02 -27.88 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.72 62.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -84.52 -75.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -42.51 -29.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.6 t -59.43 -51.14 71.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -43.96 -57.24 3.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.73 HD11 ' HB ' ' A' ' 158' ' ' VAL . 26.9 mt -51.7 145.73 15.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.93 156.46 43.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.88 64.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.5 -56.45 5.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -46.58 65.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.4 -45.75 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.92 -22.16 64.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.36 -44.07 18.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.617 ' O ' HD22 ' A' ' 94' ' ' LEU . 6.3 mt -58.76 -18.95 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.513 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 7.3 mttt -92.73 27.7 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -173.4 33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' OG ' ' A' ' 91' ' ' SER . 92.2 m-20 -117.89 -70.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 63.09 10.67 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.82 -43.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -92.4 -24.68 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.819 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 52.8 m -53.16 -39.57 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -58.44 -37.57 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.626 HG23 ' HD2' ' A' ' 101' ' ' HIS . 3.0 mt -67.78 -51.67 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 94' ' ' LEU . 1.4 mt -51.32 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 2.3 p -50.47 -43.25 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 160' ' ' MET . 42.9 t80 -69.98 -10.05 57.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 10.8 m-70 -99.45 16.67 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.637 HG22 HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -154.93 116.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 117' ' ' GLN . 89.5 t -92.71 151.71 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.58 33.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 112.28 90.0 1.88 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -41.43 141.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.2 m -159.18 129.28 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -66.91 167.14 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 49.2 2.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.72 -46.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -96.48 -25.48 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.501 HG13 HG11 ' A' ' 126' ' ' VAL . 1.3 p -54.69 -24.01 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.86 129.97 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.72 -162.52 12.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.421 HG23 ' HB3' ' A' ' 123' ' ' SER . 18.7 m -75.84 112.11 11.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.415 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.931 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.3 mmm180 -118.25 113.66 21.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.598 ' O ' HG13 ' A' ' 103' ' ' VAL . 16.4 tt0 -67.84 115.77 7.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.491 HG22 HG22 ' A' ' 103' ' ' VAL . 60.4 p -76.05 147.04 38.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.637 HD23 HG22 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.49 -30.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 118' ' ' THR . 0.5 OUTLIER -58.41 -57.81 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.37 -25.67 1.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -74.3 -173.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.421 ' HB3' HG23 ' A' ' 115' ' ' THR . 0.7 OUTLIER -121.74 139.73 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.931 HG12 ' O ' ' A' ' 116' ' ' ARG . 6.2 p -115.02 111.41 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -76.55 100.49 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.702 HG13 HG22 ' A' ' 135' ' ' VAL . 5.3 t -91.94 149.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.454 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -151.53 -176.95 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 143.16 163.11 9.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.533 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.6 tt0 157.48 93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' ASN . . . 107.17 76.06 0.97 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 130' ' ' GLY . 30.5 m120 37.42 51.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.96 109.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.549 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 9.5 mp -116.84 149.6 39.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.86 161.34 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.702 HG22 HG13 ' A' ' 126' ' ' VAL . 2.3 t -150.58 111.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 60.87 -78.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -149.65 21.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.681 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -118.36 175.53 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -116.97 117.03 28.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.549 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 79.0 t -57.15 104.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.782 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -71.52 -44.66 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.8 t -164.58 106.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.34 167.13 12.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.46 24.4 58.92 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.684 HG13 ' HB ' ' A' ' 22' ' ' VAL . 3.0 t -99.2 56.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 16.1 m -40.92 116.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.593 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.2 p -78.94 -95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -115.18 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -121.23 42.75 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.535 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . 179.95 141.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.977 ' HB ' HG23 ' A' ' 67' ' ' THR . 46.8 m -72.98 173.42 9.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.487 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -135.72 126.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.578 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 76.2 m-85 -136.97 82.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.559 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.6 mtm -60.65 144.29 52.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.681 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.5 OUTLIER -133.15 175.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -117.11 39.8 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 16.8 m -167.37 141.06 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.73 ' HB ' HD11 ' A' ' 79' ' ' LEU . 94.0 t -77.64 74.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -35.87 153.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.699 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 14.3 mtt -145.14 148.83 39.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.449 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 122.54 7.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.02 64.59 6.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 62.12 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.663 ' CD1' HG11 ' A' ' 22' ' ' VAL . 1.7 mt 46.51 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 143' ' ' GLY . 14.1 p -135.54 166.32 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 87.8 157.32 31.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 176.29 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.98 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.526 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.45 -34.2 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.4 OUTLIER -43.6 -54.91 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -55.65 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -37.74 -47.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 81.4 t80 -57.16 -55.19 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.92 -42.97 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -57.22 -35.22 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.91 -44.7 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.622 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 61.5 m-80 -124.35 74.17 60.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -60.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' GLY . 8.8 p -116.42 -11.89 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.81 -177.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.03 8.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.744 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -90.93 37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -108.23 176.81 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.043 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.663 HG11 ' CD1' ' A' ' 3' ' ' LEU . 3.2 m -67.04 -32.94 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.86 -41.85 12.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.1 -17.77 11.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.7 ' CG ' HG22 ' A' ' 147' ' ' THR . 22.4 ptp -105.5 -9.44 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 147' ' ' THR . 20.0 m -76.56 -26.39 55.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -86.37 -8.0 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 2.0 m-20 -116.13 163.84 20.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 138.45 22.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.683 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m -21.42 -52.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -46.25 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 32' ' ' VAL . 11.9 t -42.09 -39.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.736 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -42.36 -35.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.92 -33.61 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 8.7 t -54.02 -22.32 10.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 35.8 m-80 -78.63 -44.78 23.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.846 ' O ' HG23 ' A' ' 41' ' ' THR . 31.4 t-20 -61.63 132.24 93.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -170.612 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.01 5.54 3.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 2.6 mm-40 -124.3 -1.19 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.55 HD21 ' SD ' ' A' ' 154' ' ' MET . 27.9 mt -116.14 -29.28 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.8 p -38.51 -33.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.51 -53.78 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -62.45 -52.76 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.717 ' HA ' HD11 ' A' ' 47' ' ' LEU . 57.4 m -47.57 -55.56 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -43.56 -38.49 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.66 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.917 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -44.81 -61.7 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.867 ' HA ' HG23 ' A' ' 58' ' ' VAL . 56.9 p -43.61 -50.35 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 134.97 -23.59 3.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.557 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.5 mm-40 -36.84 -54.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HB3' ' ND2' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -65.68 -57.06 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.618 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -110.52 118.29 49.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 4.23 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -112.91 6.6 17.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG21 HD21 ' A' ' 94' ' ' LEU . 37.9 t -124.93 158.4 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -174.42 93.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -107.64 13.41 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.867 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.1 t -69.75 -35.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.38 -47.94 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 62' ' ' ASN . 18.0 m -65.46 -64.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.711 HD12 HD13 ' A' ' 47' ' ' LEU . 4.1 mt -39.93 -29.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 60' ' ' THR . 27.3 t30 -99.48 57.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.44 107.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.14 139.65 10.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.0 mt-30 -57.57 107.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 10.0 m-30 -112.76 -176.45 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.972 HG23 ' HB ' ' A' ' 151' ' ' THR . 24.1 m -150.86 84.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.856 HG12 ' HB2' ' A' ' 70' ' ' ALA . 12.1 t -50.57 134.15 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.675 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.4 m-85 -123.0 65.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.856 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.77 129.95 34.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -137.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.95 110.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.598 HG22 ' SD ' ' A' ' 154' ' ' MET . 27.6 p -54.45 177.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -69.02 -13.86 62.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.09 -22.2 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.07 -43.49 52.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.69 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.6 m-85 -73.1 -30.25 63.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.2 t -66.04 -30.91 71.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -57.77 -59.25 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 158' ' ' VAL . 43.3 mt -54.33 152.11 12.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.7 42.99 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -53.76 -54.1 42.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.0 m -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -51.59 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.48 -46.61 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -16.94 44.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 89' ' ' THR . 1.4 tp10 -87.7 -39.43 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.728 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.6 mt -66.93 -14.11 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -91.39 30.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.4 t -167.48 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.527 ' ND2' HD23 ' A' ' 87' ' ' LEU . 89.4 m-20 -40.18 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.417 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 23.0 t 66.69 9.82 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -136.02 -44.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -87.05 -24.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.755 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.45 -39.42 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -53.1 -45.59 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.584 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.8 OUTLIER -52.51 -37.0 56.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 98' ' ' LEU . 2.3 mt -68.71 -63.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.755 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.43 -54.86 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.529 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.9 p -50.72 -50.18 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.742 ' CE1' HG13 ' A' ' 124' ' ' VAL . 3.0 t80 -62.61 -12.14 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.665 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 33.9 m-70 -96.69 24.2 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -159.23 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 118' ' ' THR . 25.4 t -107.47 138.31 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.38 107.15 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 163.35 -41.9 0.33 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.483 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.3 OUTLIER 75.69 121.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 21.9 m -159.71 128.33 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 1.7 p -61.51 169.67 2.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.03 46.1 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.779 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.34 -43.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 3.8 m120 -102.15 -19.8 14.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.712 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -53.04 -21.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.694 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.1 p -68.91 142.64 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.04 -170.8 17.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.7 m -70.15 98.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.408 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.682 ' NH2' HG21 ' A' ' 67' ' ' THR . 0.0 OUTLIER -92.49 170.52 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.803 ' O ' HG13 ' A' ' 103' ' ' VAL . 37.2 tt0 -125.22 120.64 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.949 ' HA ' HG22 ' A' ' 103' ' ' VAL . 2.5 p -87.09 148.47 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.029 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -54.59 -24.21 20.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 1.029 ' N ' HD23 ' A' ' 119' ' ' LEU . 14.4 tm0? -63.99 -42.62 97.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 136.1 -39.42 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.597 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -64.53 170.82 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -100.17 155.54 17.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.84 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.5 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -76.09 91.25 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.102 HG22 HG22 ' A' ' 135' ' ' VAL . 12.0 t -90.7 147.04 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.694 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -152.83 166.2 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' GLN . . . 155.88 -148.19 17.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 21.8 tt0 178.62 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.58 -59.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -107.7 49.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.0 t 174.35 128.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 127' ' ' THR . 8.0 mt -143.44 129.52 19.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.73 154.42 47.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.102 HG22 HG22 ' A' ' 126' ' ' VAL . 1.1 t -144.58 120.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.95 -82.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.3 OUTLIER -150.8 24.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -121.78 171.73 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.71 119.08 36.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 94.6 t -60.66 105.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.526 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.8 t -75.47 -57.07 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.6 t -146.67 105.81 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.543 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.88 169.49 12.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.81 75.49 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.2 t -85.17 64.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -50.86 124.29 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.736 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.2 p -93.53 -106.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -103.9 -73.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -122.73 40.73 3.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.653 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -176.33 159.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.972 ' HB ' HG23 ' A' ' 67' ' ' THR . 24.7 m -96.74 -179.4 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.657 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -144.02 129.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.543 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 80.8 m-85 -137.55 87.05 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.598 ' SD ' HG22 ' A' ' 72' ' ' THR . 3.1 mtm -60.78 138.39 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.73 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -134.47 169.68 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.492 ' O ' ' OG ' ' A' ' 157' ' ' SER . 30.2 p-10 -113.92 52.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.9 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.8 m -172.56 129.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 75' ' ' ALA . 70.9 t -75.1 77.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.604 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.2 mp -38.06 151.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.508 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 10.8 mtt -143.88 146.5 34.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.584 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.95 122.54 7.29 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.597 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.97 73.77 4.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' LEU . 4.9 m-20 -78.17 137.96 38.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD11 HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER 46.16 -170.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 5' ' ' GLY . 7.4 p -136.86 168.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.516 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.26 151.79 11.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -175.329 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -64.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.38 -39.04 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.23 -34.14 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -72.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -53.09 -55.92 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.8 t80 -36.87 -64.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.82 -50.51 14.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -51.32 -39.95 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.59 -45.84 28.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -124.21 76.68 60.49 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.05 -30.77 6.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -129.68 178.02 6.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 -178.76 31.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -12.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -86.61 2.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.0 p -81.98 165.59 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.583 ' HB ' HG13 ' A' ' 145' ' ' VAL . 24.9 m -69.33 -29.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' SER . 8.4 tt0 -87.42 -57.51 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.93 -62.6 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.837 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.8 ptp -49.04 -28.19 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.4 t -60.15 -15.86 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -92.63 12.5 22.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.546 ' CG ' HG12 ' A' ' 32' ' ' VAL . 68.1 m-20 -129.86 151.63 78.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.855 HG11 ' O ' ' A' ' 61' ' ' LEU . 11.0 p 28.16 -118.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.845 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -7.45 -71.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 35' ' ' SER . 57.5 t -36.47 -61.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.837 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.17 -67.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.702 ' OG ' HG21 ' A' ' 44' ' ' THR . 3.5 t -77.85 47.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -160.71 -43.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' THR . 3.2 t-20 -44.98 126.27 5.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 164.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 72' ' ' THR . 2.1 mt-10 -122.14 -4.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.774 HD22 ' HB1' ' A' ' 70' ' ' ALA . 25.6 mt -113.07 -25.76 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -47.87 -41.34 23.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.533 HG23 ' CD2' ' A' ' 76' ' ' PHE . 2.5 t -61.11 -29.3 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.925 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -85.44 -43.37 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.702 HG21 ' OG ' ' A' ' 35' ' ' SER . 1.0 OUTLIER -48.77 -59.25 3.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.82 -36.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.01 -69.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.843 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -50.57 -61.74 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.701 ' HA ' HG23 ' A' ' 58' ' ' VAL . 4.1 p -41.45 -65.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 149.04 -21.86 1.25 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 28.2 mt-30 -36.63 -40.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -70.53 -50.31 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.4 t30 -136.34 130.63 18.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 6.76 3.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.82 4.91 20.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 94' ' ' LEU . 50.9 t -125.51 142.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 48' ' ' SER . 5.4 p30 -165.79 107.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' ASP . 8.0 mp -110.68 -27.25 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' A' ' 48' ' ' SER . 41.4 t -37.16 -31.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 57' ' ' LEU . 1.5 t70 -75.86 -54.65 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.4 m -60.98 -54.4 45.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.855 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -49.97 -35.05 22.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 31' ' ' ALA . 7.2 m-20 -90.08 54.43 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 109.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.45 137.58 5.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.7 mt-30 -53.92 109.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.0 m-30 -113.24 -170.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.997 HG23 ' HB ' ' A' ' 151' ' ' THR . 71.5 m -154.84 88.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 152' ' ' VAL . 6.4 t -51.64 145.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 9.1 m-85 -135.95 69.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.774 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -97.47 127.55 37.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -141.446 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.925 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.02 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.578 HG21 HG21 ' A' ' 141' ' ' VAL . 14.7 p -53.02 -179.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -70.21 -29.65 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.27 14.76 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -103.76 -30.62 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.7 m-85 -89.38 -37.95 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -60.06 -13.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.31 -25.03 65.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.59 HD11 ' CG2' ' A' ' 158' ' ' VAL . 24.7 mt -92.99 156.63 40.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.85 31.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.8 p -54.37 -56.16 21.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.485 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -50.98 -47.26 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.844 HG22 ' HE3' ' A' ' 88' ' ' LYS . 34.9 mm -60.48 -69.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -37.96 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 1.004 ' O ' HG22 ' A' ' 89' ' ' THR . 1.6 tp10 -71.63 -48.77 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.2 mt -48.15 -33.93 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.844 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.03 39.44 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 89' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.0 t -167.48 -31.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.523 ' CG ' HD23 ' A' ' 93' ' ' LEU . 57.2 m-20 -63.05 -71.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.527 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.2 p 86.04 -39.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -93.62 -55.11 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -60.96 -30.64 70.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.998 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -77.31 -47.12 20.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' OG1' ' A' ' 99' ' ' THR . 2.8 m -54.3 -44.04 71.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.4 OUTLIER -51.42 -41.56 60.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.505 HG22 HD23 ' A' ' 98' ' ' LEU . 1.9 mt -65.12 -56.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.998 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.74 -61.23 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.45 ' HB ' ' N ' ' A' ' 120' ' ' GLN . 0.9 OUTLIER -44.35 -49.4 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.747 ' CE1' HG13 ' A' ' 124' ' ' VAL . 1.0 OUTLIER -57.3 -28.3 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.731 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.3 m-70 -83.64 22.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 101' ' ' HIS . 1.9 t -154.56 141.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.863 HG22 ' HA ' ' A' ' 118' ' ' THR . 4.0 t -123.81 150.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -98.07 109.85 22.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 119.94 85.95 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -35.3 132.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.8 m -141.39 133.85 28.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -71.96 164.02 62.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.04 1.62 7.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.06 -15.16 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 113' ' ' VAL . 68.7 m-80 -118.9 -38.74 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 109' ' ' PRO . 4.5 p -41.84 -28.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.478 ' HA ' HG12 ' A' ' 126' ' ' VAL . 73.7 t -56.45 136.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.07 -176.81 20.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 123' ' ' SER . 23.0 m -74.82 122.1 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.682 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -122.84 169.02 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -111.83 116.89 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.868 HG23 HG22 ' A' ' 124' ' ' VAL . 19.3 p -84.32 175.26 9.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 30.8 mt -61.0 -46.73 89.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.45 ' N ' ' HB ' ' A' ' 99' ' ' THR . 21.7 tp60 -58.38 -17.21 18.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . 105.98 -53.18 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.482 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -38.61 149.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 19.5 p -82.77 158.99 22.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.868 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.97 105.49 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.7 m -71.45 80.59 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.054 HG22 HG22 ' A' ' 135' ' ' VAL . 21.0 t -80.72 144.78 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -155.47 179.5 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 134.46 -111.9 0.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 33.6 tt0 85.36 -60.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' ASN . . . -96.05 67.11 1.06 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' GLY . 23.2 m120 61.03 145.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 t 66.21 97.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.493 ' HB3' HG21 ' A' ' 140' ' ' VAL . 10.9 mp -95.8 166.09 11.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 135' ' ' VAL . 5.3 mtpt -137.04 160.81 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.054 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -157.99 122.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.05 40.23 12.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 19.6 t30 87.95 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.75 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -59.95 176.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 3.0 m-20 -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 133' ' ' LEU . 79.0 t -59.17 111.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.578 HG21 HG21 ' A' ' 72' ' ' THR . 2.6 t -82.07 -52.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 24.2 t -154.53 105.58 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.46 172.19 14.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 15.96 79.96 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.583 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.4 t -84.98 57.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.1 m -48.29 115.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 33' ' ' ALA . 1.1 p -79.53 -97.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.12 -71.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -126.12 43.63 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -178.04 137.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.997 ' HB ' HG23 ' A' ' 67' ' ' THR . 55.3 m -75.98 174.41 10.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.63 HG22 ' HB ' ' A' ' 68' ' ' VAL . 2.4 t -141.23 129.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.657 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 84.8 m-85 -136.41 95.75 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.672 ' HG2' HD21 ' A' ' 40' ' ' LEU . 1.6 mtp -67.13 143.14 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.75 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -132.63 -175.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 2.0 p-10 -120.1 37.52 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -172.16 132.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 158' ' ' VAL . 4.1 m -73.72 67.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.805 HD11 ' CG1' ' A' ' 135' ' ' VAL . 57.6 mt -21.29 131.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.442 ' O ' ' HE2' ' A' ' 100' ' ' TYR . 8.2 mtt -122.77 143.18 39.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 125.26 9.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -74.98 164.81 32.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.969 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -143.18 88.29 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.2 mm? 46.33 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 4.3 p -138.36 152.82 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.14 152.96 27.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -165.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.94 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.763 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.805 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.13 -48.55 6.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -40.88 -30.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -69.03 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.37 -53.71 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 42.6 t80 -35.87 -64.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.44 -53.51 6.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -47.0 -33.25 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -83.76 -41.19 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.36 77.4 60.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -139.22 167.49 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.7 -160.42 13.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.2 Cg_endo -75.01 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.855 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -71.22 60.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' PRO . 81.5 p -142.54 173.56 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.052 HG22 HG13 ' A' ' 145' ' ' VAL . 56.4 t -65.45 -53.34 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -74.48 -32.89 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.676 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.9 ptp -77.64 -7.83 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -79.69 -28.51 40.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.944 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -78.46 -2.51 38.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 1.3 m-20 -130.3 167.77 19.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 158.55 42.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.607 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 4.1 p -38.09 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -62.03 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 31' ' ' ALA . 29.0 t -32.27 -43.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -40.2 -68.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.75 88.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.621 ' HA ' HG21 ' A' ' 44' ' ' THR . 4.1 m -46.45 -27.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -67.58 -44.8 77.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.911 ' O ' HG23 ' A' ' 41' ' ' THR . 16.9 t-20 -71.59 137.83 83.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -155.197 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.855 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 1.79 7.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.1 mm-40 -122.57 -3.2 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 154' ' ' MET . 12.6 mt -118.5 -24.37 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -40.6 -35.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.614 HG23 ' CE2' ' A' ' 76' ' ' PHE . 7.4 t -69.75 -48.9 57.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.913 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.45 -55.49 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.666 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.4 m -47.58 -52.08 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -46.04 -36.82 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.22 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.913 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.47 -62.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 48' ' ' SER . . . . . 1.079 ' HA ' HG23 ' A' ' 58' ' ' VAL . 65.1 p -45.02 -54.33 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 135.68 -20.72 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.516 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.7 mt-30 -37.7 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.41 -52.16 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 t30 -128.62 125.5 23.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 3.25 5.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.38 -0.76 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -131.6 127.05 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' SER . 9.3 p30 -143.32 118.79 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -126.94 10.35 6.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 1.079 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.2 t -53.29 -46.28 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.33 -45.83 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.7 m -55.17 -16.72 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -91.51 -48.01 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.554 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 23.3 p-10 -79.2 46.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -88.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.63 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -124.64 -172.37 13.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -46.21 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 4.3 m-30 -114.54 -178.65 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.752 HG23 ' HB ' ' A' ' 151' ' ' THR . 17.4 m -155.69 88.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 70' ' ' ALA . 3.4 t -52.0 141.76 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 11.4 m-85 -131.23 70.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -104.14 131.15 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -136.066 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.906 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.95 125.99 9.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 155' ' ' ILE . 22.7 p -69.04 174.11 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.73 -13.75 55.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.26 -19.6 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.94 -36.47 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.778 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 34.6 m-85 -78.32 -21.95 48.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -20.26 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.79 -60.69 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HB3' HG21 ' A' ' 83' ' ' THR . 21.1 mt -54.32 152.76 10.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.1 144.48 29.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.32 -52.06 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -50.04 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.71 -48.97 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.08 -57.01 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.98 -24.05 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -80.57 -43.58 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -56.06 -17.83 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' HG2' HD23 ' A' ' 51' ' ' LEU . 9.5 mttt -91.63 11.32 24.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.4 t -145.23 12.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 1.8 m-20 -118.57 165.52 13.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -153.7 22.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.77 -48.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.07 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -77.0 -27.69 54.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.913 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.65 -49.21 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.433 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.1 m -49.87 -51.95 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 4.3 m -45.23 -41.94 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.691 HG22 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -65.24 -57.0 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -49.04 -58.11 5.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.543 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.2 p -51.99 -45.93 64.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -64.73 -12.76 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.672 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 52.2 m-70 -95.2 22.75 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.458 HG13 HD22 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -159.26 128.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 118' ' ' THR . 2.9 t -103.91 161.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.87 99.74 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 161.99 -51.55 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.613 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.57 129.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 5.9 m -162.82 126.79 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -49.91 165.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 50.69 2.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.67 -45.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.491 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 2.4 m120 -98.07 -28.9 13.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.19 -22.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 127' ' ' THR . 1.3 p -66.11 165.92 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.25 -100.0 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.7 m -144.79 125.13 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.736 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.9 tpt180 -122.93 149.76 43.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.536 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 50.8 tt0 -94.04 116.21 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.834 ' HA ' HG22 ' A' ' 103' ' ' VAL . 52.4 p -76.37 153.38 35.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.971 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -60.19 -23.78 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.971 ' N ' HD23 ' A' ' 119' ' ' LEU . 13.6 tp60 -61.44 -34.68 75.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.98 -9.96 11.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -94.52 175.22 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.737 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 p -101.01 152.23 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 116' ' ' ARG . 2.5 p -128.74 101.15 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -66.53 100.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 135' ' ' VAL . 23.7 t -94.19 155.46 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.716 ' O ' HD23 ' A' ' 133' ' ' LEU . 1.4 p -154.07 -178.5 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 132' ' ' SER . . . 136.52 159.5 8.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 128' ' ' GLY . 16.2 pt20 172.65 131.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 43.69 79.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.3 m120 60.03 67.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.495 ' O ' ' CA ' ' A' ' 128' ' ' GLY . 2.9 t 179.47 131.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 127' ' ' THR . 9.9 mt -152.85 124.08 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -129.57 142.89 50.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.82 HG12 HD21 ' A' ' 159' ' ' LEU . 2.1 t -135.3 126.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.56 38.11 7.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.8 t30 89.4 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.732 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -60.74 179.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 40.5 m-20 -125.38 117.86 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -58.0 108.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.805 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.8 t -77.61 -50.89 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.83 105.07 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.34 163.54 12.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.23 18.23 57.78 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.052 HG13 HG22 ' A' ' 22' ' ' VAL . 1.2 t -91.23 69.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 11.4 m -58.44 130.75 48.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.535 HG22 ' CG ' ' A' ' 25' ' ' MET . 1.8 p -88.8 -104.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -110.61 -43.21 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -150.32 33.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -164.97 151.05 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.752 ' HB ' HG23 ' A' ' 67' ' ' THR . 33.1 m -92.97 170.33 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 145' ' ' VAL . 1.4 t -136.87 127.08 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.637 ' HE2' HG23 ' A' ' 67' ' ' THR . 91.1 m-85 -135.29 90.78 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 40' ' ' LEU . 5.1 mtm -63.62 145.97 54.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.703 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -135.51 -179.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 1.6 p-10 -117.15 36.84 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 47.1 m -164.59 150.14 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.962 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 158' ' ' VAL . 85.0 t -73.45 11.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.82 HD21 HG12 ' A' ' 135' ' ' VAL . 14.6 mt 51.67 -86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.703 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.7 mtp 82.54 137.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 129.08 12.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.5 Cg_endo -74.95 144.53 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -175.36 49.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.607 HD22 HG11 ' A' ' 22' ' ' VAL . 3.0 mp -87.27 -171.74 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.538 HG11 ' CB ' ' A' ' 109' ' ' PRO . 7.6 p -131.12 167.14 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.532 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 92.93 157.92 33.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 165.652 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.911 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -50.04 -42.96 40.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.627 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -56.19 -18.98 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -82.46 -63.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 46.6 mt-10 -64.79 -53.31 48.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 46.3 t80 -38.97 -64.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.21 -49.99 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -48.58 -43.67 36.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -76.54 -50.38 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -119.74 82.96 27.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.78 4.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 p -135.64 -171.93 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.93 -178.01 34.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.16 8.93 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.552 ' O ' ' HE3' ' A' ' 25' ' ' MET . 61.2 p -87.18 164.1 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.132 HG12 HG13 ' A' ' 145' ' ' VAL . 19.0 m -61.57 -33.86 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.05 -47.3 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -48.51 -23.75 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.605 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 18.6 ptp -93.13 -25.23 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' GLN . 27.6 m -55.5 -21.75 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -91.32 25.89 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.643 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -140.18 152.97 68.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.93 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.795 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.6 p 27.03 -104.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.91 ' HB1' HG23 ' A' ' 58' ' ' VAL . . . -17.45 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.594 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 74.7 t -36.0 -58.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.09 -50.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -66.4 -40.77 89.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.683 ' HB3' HG21 ' A' ' 44' ' ' THR . 6.5 p -49.25 -22.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -81.2 -35.09 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t-20 -64.52 134.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -172.541 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.847 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 1.14 8.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -122.01 -2.77 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.85 HD22 ' HB1' ' A' ' 70' ' ' ALA . 26.8 mt -116.21 -31.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -36.3 -35.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m -68.16 -53.81 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.754 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -57.99 -56.91 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 35' ' ' SER . 40.2 m -47.16 -59.53 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -40.53 -39.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.17 -72.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.73 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -45.39 -60.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.536 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 10.7 p -43.21 -65.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.68 -23.13 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.562 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.1 mt-30 -38.62 -51.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -56.77 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -113.14 108.31 53.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 25.09 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 52' ' ' ASN . 7.6 mt-30 -130.31 5.77 4.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.01 155.87 41.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 6.4 p30 -163.41 102.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 57' ' ' LEU . 15.8 mt -119.11 -10.81 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.91 HG23 ' HB1' ' A' ' 31' ' ' ALA . 7.5 p -57.47 -59.78 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.596 ' H ' HG13 ' A' ' 58' ' ' VAL . 2.8 m-20 -48.79 -32.56 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.3 m -73.84 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.761 ' O ' HG11 ' A' ' 30' ' ' VAL . 6.0 mt -37.94 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.3 m-20 -84.85 51.47 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -176.42 106.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.45 138.75 10.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -58.82 104.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 11.5 m-30 -113.1 -173.27 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.966 HG23 ' HB ' ' A' ' 151' ' ' THR . 17.8 m -149.99 86.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.833 HG12 ' HB2' ' A' ' 70' ' ' ALA . 56.2 t -51.75 130.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.441 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 6.5 m-85 -119.94 69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.85 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -94.59 128.15 41.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -139.428 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.754 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.01 110.59 3.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 155' ' ' ILE . 47.6 p -51.52 170.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -67.62 -17.92 64.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 -20.56 27.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.8 -47.0 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 36.9 m-85 -65.18 -38.2 89.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 m -56.09 -36.85 68.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -54.16 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 83' ' ' THR . 6.1 mt -63.33 150.24 89.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.0 147.02 33.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.55 1.816 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 t -50.68 -48.5 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.623 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.9 -48.53 79.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.709 HG22 ' HD2' ' A' ' 88' ' ' LYS . 39.9 mm -62.41 -50.1 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -55.08 -19.79 8.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 4.5 tp10 -83.57 -45.55 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 87' ' ' LEU . 5.5 mt -64.89 -12.43 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.709 ' HD2' HG22 ' A' ' 84' ' ' ILE . 10.4 mtpt -92.93 30.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -164.78 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.471 ' ND2' HD23 ' A' ' 87' ' ' LEU . 19.9 m-20 -56.95 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 95' ' ' THR . 9.6 p 168.77 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.88 13.55 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -136.47 -46.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.089 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -67.45 -38.82 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 99' ' ' THR . 3.5 t -54.11 -42.68 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.429 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.75 -38.1 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.569 HG22 HD23 ' A' ' 98' ' ' LEU . 1.8 mt -69.3 -60.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.089 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -45.03 -62.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 102' ' ' VAL . 38.1 p -47.57 -50.69 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.5 t80 -61.62 -13.44 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.662 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.0 m-70 -96.29 23.41 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.596 HG13 HD23 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -160.91 118.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' A' ' 118' ' ' THR . 41.4 t -95.39 157.31 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.82 99.87 10.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.52 100.67 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 127.24 26.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.9 m -144.44 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 3.2 p -87.85 166.5 24.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.02 52.26 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.43 -47.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -102.57 -18.02 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.65 -20.31 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 127' ' ' THR . 66.5 t -70.38 137.54 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.91 -171.45 13.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -67.53 107.5 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.783 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -112.58 110.92 21.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.33 107.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.59 ' HA ' HG22 ' A' ' 103' ' ' VAL . 75.8 p -71.8 151.08 43.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -51.18 -28.56 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 120' ' ' GLN . 4.9 tp60 -56.69 -42.24 78.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 129.43 -11.69 6.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 -178.36 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.79 133.31 55.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 116' ' ' ARG . 14.6 p -107.48 106.05 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 125' ' ' THR . 4.4 m -67.08 75.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 124' ' ' VAL . 44.3 t -60.33 147.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.62 ' HA ' HG13 ' A' ' 113' ' ' VAL . 2.5 m -141.83 175.52 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.744 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . 134.77 162.3 9.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -136.81 -70.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -127.98 -98.81 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.23 45.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.37 94.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.744 HD23 ' HA3' ' A' ' 128' ' ' GLY . 5.3 mt -104.13 142.66 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -130.79 161.15 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 1.2 t -152.55 119.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.98 50.8 2.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 87.11 -45.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.619 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -48.84 171.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -119.91 119.35 33.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 72.3 t -63.58 120.98 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.911 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -91.51 -53.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.627 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 5.2 t -153.2 108.87 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.81 -179.21 19.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.31 71.49 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.132 HG13 HG12 ' A' ' 22' ' ' VAL . 1.6 t -84.11 53.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.2 m -43.04 130.63 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.586 HG22 ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -99.52 -96.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.47 -75.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -121.8 36.99 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.59 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -171.16 150.17 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.966 ' HB ' HG23 ' A' ' 67' ' ' THR . 94.0 m -89.01 176.52 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.562 ' H ' HG22 ' A' ' 151' ' ' THR . 1.1 t -139.24 131.5 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.506 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 75.3 m-85 -139.57 89.61 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.465 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.47 141.7 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.752 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -133.35 170.63 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.416 ' OD1' ' OD2' ' A' ' 139' ' ' ASP . 5.3 p-10 -111.99 41.02 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.99 139.89 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 158' ' ' VAL . 37.5 t -75.36 69.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.5 tp -31.28 129.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.693 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 30.0 mtt -126.76 150.59 71.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.429 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.02 139.4 24.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.93 127.37 10.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.936 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -76.1 169.0 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 1.6 mm? -94.64 176.48 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.486 HG11 ' CG ' ' A' ' 109' ' ' PRO . 2.1 p -119.32 144.39 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.39 146.79 18.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -164.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.2 Cg_endo -75.01 -66.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.737 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -35.87 -38.84 0.24 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -40.25 -30.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.93 -59.27 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.65 -43.99 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.698 ' CZ ' ' ND2' ' A' ' 37' ' ' ASN . 83.2 t80 -63.17 -65.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -43.74 -52.53 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.86 -27.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -93.55 -39.84 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' ALA . 5.2 m120 -125.78 73.2 69.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' C ' HG23 ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.01 -9.43 20.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.482 HG23 ' C ' ' A' ' 16' ' ' PRO . 60.3 p -154.17 -167.63 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 80.21 -161.31 45.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.93 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -70.29 61.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . 66.4 m -137.43 162.42 33.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 145' ' ' VAL . 17.4 t -53.78 -39.12 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.62 -35.54 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.04 -12.29 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.836 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 6.7 ptp -100.45 -11.46 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 29.4 t -65.06 -50.89 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.75 -18.1 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.42 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 48.7 m-20 -94.67 142.91 25.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.01 100.04 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.833 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.4 p 30.2 -122.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.74 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.64 -72.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' SER . 93.0 t -29.62 -60.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.836 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -33.14 -66.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.818 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -48.32 -44.02 33.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.944 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -57.51 -22.1 42.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' ALA . 12.0 m120 -92.05 -33.94 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.698 ' ND2' ' CZ ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -63.55 126.67 90.06 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.369 170.375 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.635 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 10.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.753 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.5 mt-10 -116.4 -18.26 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.066 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.82 -17.29 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -38.52 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 91.2 m -73.33 -53.04 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.815 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.62 -54.89 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.944 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -50.16 -53.67 26.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.368 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.99 -39.53 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.58 -72.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.815 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -44.33 -61.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.525 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 91.0 p -44.32 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 153.35 -19.45 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -50.27 -20.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.87 -44.74 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.741 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -109.81 98.06 31.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 14.33 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.4 mt-30 -128.33 6.65 5.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.944 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -125.9 -179.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 56' ' ' ASN . 2.0 p-10 169.77 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -94.28 -32.33 13.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 t -27.11 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 58' ' ' VAL . 11.5 t70 -40.45 -56.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 57' ' ' LEU . 51.9 m -58.24 -58.82 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.833 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.06 -34.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -98.34 57.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 m -124.24 -92.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.88 178.26 36.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -63.35 108.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.6 m-30 -113.98 -168.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.95 HG23 ' HB ' ' A' ' 151' ' ' THR . 87.8 m -152.51 88.21 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.917 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.3 t -50.71 141.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 8.3 m-85 -135.12 69.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.917 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -107.09 127.27 28.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -135.478 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.749 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.96 109.1 2.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.59 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 30.4 p -58.1 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 39' ' ' GLU . 2.6 m-20 -85.63 7.24 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.19 0.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB1' ' C ' ' A' ' 157' ' ' SER . . . -101.35 -49.24 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.749 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 66.3 m-85 -69.94 -24.36 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -18.24 62.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.89 -61.9 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.555 HD11 ' HB ' ' A' ' 158' ' ' VAL . 52.6 mt -47.82 151.84 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.28 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -50.6 -55.61 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.1 t -38.64 -56.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -48.54 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.606 HG22 ' CE ' ' A' ' 88' ' ' LYS . 27.5 mm -60.69 -54.83 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -20.34 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.26 -45.36 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.72 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.3 mt -57.92 -17.34 16.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.606 ' CE ' HG22 ' A' ' 84' ' ' ILE . 7.4 mtmt -88.73 7.74 32.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.6 t -164.32 45.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 91' ' ' SER . 93.7 m-20 -120.71 -93.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 3.0 t 89.31 -26.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 24.92 12.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.57 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.944 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.75 -50.6 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -45.11 -39.98 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.535 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.38 -46.11 80.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -61.93 -50.82 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 94' ' ' LEU . 2.0 mt -50.78 -62.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.761 HG22 ' CD2' ' A' ' 119' ' ' LEU . 15.1 p -50.03 -44.55 51.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 6.8 t80 -64.51 -14.66 58.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.694 ' HE2' ' C ' ' A' ' 158' ' ' VAL . 36.3 m-70 -92.82 15.98 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.5 OUTLIER -154.23 126.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 117' ' ' GLN . 44.5 t -105.28 144.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.14 107.8 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 121.54 110.63 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -66.61 137.19 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.7 m -157.21 134.18 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 p -65.78 165.59 19.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.486 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 52.03 2.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.82 -44.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -102.32 -28.97 11.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.541 HG13 HG11 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -48.81 -24.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.509 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.5 p -57.51 153.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.77 -165.83 53.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.2 m -61.63 135.41 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.769 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.7 tpm_? -149.74 123.47 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.853 ' O ' HG13 ' A' ' 103' ' ' VAL . 28.9 tt0 -58.11 137.92 56.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.694 ' HA ' HG22 ' A' ' 103' ' ' VAL . 22.4 p -110.69 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.761 ' CD2' HG22 ' A' ' 99' ' ' THR . 4.8 tt -61.7 -49.54 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 17.9 tp60 -48.51 -20.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 102.19 -10.11 56.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -81.61 -169.21 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.98 136.75 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.5 p -106.97 127.6 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 125' ' ' THR . 3.2 m -87.58 76.16 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.7 HG13 ' CG2' ' A' ' 135' ' ' VAL . 20.0 t -67.67 163.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.509 ' HA ' HG23 ' A' ' 113' ' ' VAL . 3.8 m -155.3 170.66 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -166.45 135.56 3.74 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -133.61 -166.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -39.24 -38.73 0.92 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' SER . 10.9 m120 -169.29 139.49 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.6 t 84.59 91.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.425 HD13 ' CG2' ' A' ' 4' ' ' VAL . 10.1 mp -72.1 170.53 13.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 135' ' ' VAL . 1.4 mttt -132.15 156.28 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.7 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -155.33 125.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.79 39.03 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.5 t-20 89.74 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.893 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -55.03 177.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 9.5 m-20 -120.45 121.78 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.49 106.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.737 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.483 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 19.3 t -155.23 108.91 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.513 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 167.63 12.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 21.95 67.85 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 22' ' ' VAL . 11.3 t -93.68 53.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.8 m -40.16 116.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.773 HG22 ' HG3' ' A' ' 25' ' ' MET . 2.6 p -83.85 -103.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.71 -78.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -123.52 45.16 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.88 135.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.95 ' HB ' HG23 ' A' ' 67' ' ' THR . 65.5 m -68.06 172.66 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.51 ' N ' HG22 ' A' ' 151' ' ' THR . 1.8 t -135.31 126.93 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 78.7 m-85 -135.78 81.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.59 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 15.7 mtm -60.42 145.88 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.607 ' CA ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -135.9 -179.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -114.31 17.85 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.893 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 2.9 m -140.68 141.61 34.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.694 ' C ' ' HE2' ' A' ' 101' ' ' HIS . 98.8 t -74.76 14.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.633 ' O ' ' O ' ' A' ' 158' ' ' VAL . 64.3 mt 38.05 -169.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 173.19 139.93 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.535 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 142.97 28.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.1 Cg_endo -75.01 68.08 5.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 178.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 22' ' ' VAL . 1.2 mt -58.24 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.517 HG22 ' H ' ' A' ' 5' ' ' GLY . 3.9 p -114.76 172.58 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.38 156.07 21.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -66.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.609 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.01 -36.44 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -44.58 -28.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -75.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 2.6 tt0 -44.83 -51.39 9.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 61.0 t80 -38.27 -66.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.76 -55.68 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -41.73 -39.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.14 -46.85 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -127.12 80.07 72.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.02 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.7 p -121.86 147.44 45.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 -161.25 24.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -42.57 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -80.81 54.59 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -134.12 170.84 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.008 HG13 HG13 ' A' ' 145' ' ' VAL . 59.0 t -65.55 -36.97 78.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -86.01 -39.89 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.26 -41.57 54.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.635 ' CG ' HG22 ' A' ' 147' ' ' THR . 15.0 ptp -76.71 -20.51 56.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.9 OUTLIER -72.65 -12.11 60.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.34 17.48 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.744 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -152.0 169.48 9.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 137.8 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.669 ' CG1' ' HB3' ' A' ' 150' ' ' ALA . 2.0 m -20.93 -53.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' HG22 ' A' ' 30' ' ' VAL . . . -43.82 -88.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' HA ' ' CB ' ' A' ' 35' ' ' SER . 59.8 t -45.86 -35.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.699 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -49.17 -28.07 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -100.64 -24.87 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 10.3 t -63.62 -11.56 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -91.47 -42.74 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 41' ' ' THR . 0.5 OUTLIER -64.55 134.19 95.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -170.691 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.871 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.96 4.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -121.55 -4.71 9.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD22 ' HB1' ' A' ' 70' ' ' ALA . 29.0 mt -115.64 -32.57 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.07 -36.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -67.96 -53.78 23.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.92 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.23 -51.97 67.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.712 ' HA ' HD11 ' A' ' 47' ' ' LEU . 47.9 m -48.2 -49.82 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -48.34 -37.3 16.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.32 -70.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.91 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.34 -61.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.695 ' HA ' HG23 ' A' ' 58' ' ' VAL . 63.7 p -44.66 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.69 -22.12 0.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.543 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.5 mt-30 -38.57 -40.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -56.51 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.548 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -113.65 113.78 47.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 10.61 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -119.33 8.93 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.14 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 10.1 p-10 -169.53 102.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.713 HD21 HG22 ' A' ' 99' ' ' THR . 0.2 OUTLIER -110.18 -27.52 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.695 HG23 ' HA ' ' A' ' 48' ' ' SER . 20.3 t -31.76 -62.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.74 -54.87 3.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 16.3 m -62.84 -64.23 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.758 HD12 HD13 ' A' ' 47' ' ' LEU . 6.5 mt -32.89 -39.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 t30 -94.28 58.36 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.6 m -125.62 -92.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.11 171.55 24.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.9 OUTLIER -55.12 106.85 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 9.1 m-30 -111.69 -178.88 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.777 HG23 ' HB ' ' A' ' 151' ' ' THR . 11.8 m -145.61 86.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.835 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.0 t -53.36 132.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.458 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 7.4 m-85 -120.33 68.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.835 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.84 127.38 43.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -137.84 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.92 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.08 112.97 3.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 155' ' ' ILE . 39.6 p -52.07 169.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -65.8 -22.37 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -16.84 39.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -74.87 -45.27 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.725 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.7 m-85 -68.94 -40.0 79.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -51.25 -51.98 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.039 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 1.4 mtmm -38.67 -57.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.6 mt -47.29 149.4 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 138.55 23.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.2 -48.57 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 m -45.54 -47.46 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.59 -49.58 74.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.9 -57.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -49.54 -24.51 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 89' ' ' THR . 8.1 tp10 -77.98 -45.25 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -64.0 -10.96 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -91.53 28.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 86' ' ' GLU . 14.6 t -163.15 -35.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.506 ' ND2' HD23 ' A' ' 87' ' ' LEU . 2.4 m-20 -65.1 164.85 12.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.4 p -155.14 22.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.13 -47.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -78.64 -29.69 45.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.026 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.07 -43.35 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -51.1 -46.9 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -51.75 -41.59 61.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.656 HG22 HD23 ' A' ' 98' ' ' LEU . 1.9 mt -63.14 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.026 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -47.81 -59.08 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.713 HG22 HD21 ' A' ' 57' ' ' LEU . 18.4 p -52.75 -49.22 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 160' ' ' MET . 43.1 t80 -61.04 -16.88 48.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.655 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.9 m-70 -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -157.48 124.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 118' ' ' THR . 53.5 t -105.75 138.18 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.25 104.48 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 133.73 113.23 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.7 140.42 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 108' ' ' SER . 23.3 m -156.97 171.98 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -103.1 164.76 14.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.425 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.96 51.38 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.79 -46.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 113' ' ' VAL . 65.8 m-20 -99.57 -30.23 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.738 HG13 HG11 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -43.96 -28.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 126' ' ' VAL . 9.4 p -55.48 161.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.39 -170.36 52.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 47.3 m -66.1 131.95 47.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.354 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.836 ' CD ' HG11 ' A' ' 103' ' ' VAL . 5.3 tpp180 -138.76 117.72 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 103' ' ' VAL . 33.3 tt0 -68.73 115.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.866 ' HA ' HG22 ' A' ' 103' ' ' VAL . 30.7 p -73.7 164.47 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.02 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -65.1 -25.47 67.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 1.02 ' N ' HD23 ' A' ' 119' ' ' LEU . 28.8 tp60 -66.0 -21.83 66.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.78 6.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -69.58 -172.85 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -124.32 147.5 48.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.798 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.4 p -120.97 117.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.5 m -74.1 80.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.738 HG11 HG13 ' A' ' 112' ' ' VAL . 26.0 t -67.96 146.89 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 128' ' ' GLY . 4.7 m -141.43 176.28 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.758 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . 171.16 154.25 9.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 132' ' ' SER . 16.4 pt20 -131.52 -48.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 173.84 -86.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -88.48 43.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 1.3 p 169.02 95.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.758 HD23 ' HA3' ' A' ' 128' ' ' GLY . 10.4 mt -82.44 157.8 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.501 ' CE ' ' OD1' ' A' ' 139' ' ' ASP . 32.2 mttt -136.63 159.08 42.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.702 ' CG2' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -154.08 121.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 36.09 53.31 1.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t30 86.57 -46.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -46.79 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.501 ' OD1' ' CE ' ' A' ' 134' ' ' LYS . 26.1 m-20 -123.55 110.4 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.626 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 54.6 t -55.67 110.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.711 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -80.77 -50.63 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.401 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 34.2 t -153.79 104.32 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.288 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.82 174.33 16.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 75.35 18.07 80.04 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.008 HG13 HG13 ' A' ' 22' ' ' VAL . 2.4 t -87.0 64.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.8 m -51.08 124.71 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.699 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.8 p -89.89 -108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -108.24 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -126.75 38.97 4.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.669 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -176.15 167.89 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.777 ' HB ' HG23 ' A' ' 67' ' ' THR . 33.1 m -104.11 179.92 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.676 ' H ' HG22 ' A' ' 151' ' ' THR . 0.9 OUTLIER -143.53 128.84 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.521 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 80.4 m-85 -137.62 86.91 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -59.51 145.14 45.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pt -138.22 170.8 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -112.06 46.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.62 143.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 158' ' ' VAL . 32.0 t -78.6 69.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.691 HD21 ' CG2' ' A' ' 124' ' ' VAL . 1.1 tp -32.03 129.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.694 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 12.0 mtt -123.24 148.47 55.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.424 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.1 127.4 10.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.97 60.79 5.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -124.38 62.45 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.72 -172.08 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.7 m -130.95 136.74 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.66 155.88 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 177.535 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.571 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -47.19 -36.98 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -29.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -67.5 -75.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -52.94 -52.35 58.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -38.97 -54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.14 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -36.65 73.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' GLU . . . -79.69 -44.41 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -123.14 76.44 51.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -59.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 p -115.6 155.11 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 124.9 -166.62 17.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.65 10.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.849 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -89.23 42.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 78.2 p -119.17 172.87 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.861 HG22 HG13 ' A' ' 145' ' ' VAL . 61.3 t -68.02 -39.84 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.21 -36.68 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.97 -38.55 95.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.762 ' HG3' HG22 ' A' ' 147' ' ' THR . 15.2 ptp -77.78 -14.34 59.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 27' ' ' GLN . 3.6 p -61.98 -64.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.483 ' N ' ' OG ' ' A' ' 26' ' ' SER . 3.9 mt-30 -37.85 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 37.2 m-20 -85.43 142.34 37.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.1 Cg_endo -74.95 101.84 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.782 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.826 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 2.4 p 29.7 -104.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.754 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -19.85 -83.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 46.3 t -28.36 -54.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -41.67 -61.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -52.64 -26.38 13.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.589 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.04 44.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 35' ' ' SER . 26.7 m-80 -161.4 -40.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' THR . 2.3 m-20 -53.89 136.15 56.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 175.633 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.96 6.15 3.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.477 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.8 mm-40 -128.25 2.75 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.696 HD21 ' HG3' ' A' ' 154' ' ' MET . 43.6 mt -121.67 -32.93 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.2 p -35.5 -41.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -62.72 -54.46 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.936 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.33 -43.23 96.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.66 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -48.61 -60.9 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.17 -35.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.75 -72.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.766 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -44.4 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.484 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 2.8 p -41.55 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.22 -17.57 1.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -19.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.726 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -39.22 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.74 ' CB ' HG13 ' A' ' 55' ' ' VAL . 2.7 m120 -128.83 105.45 18.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -108.84 -2.92 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.028 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -117.74 176.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.2 p30 174.51 99.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD11 HG22 ' A' ' 99' ' ' THR . 4.1 mm? -98.25 -51.43 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.791 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -14.53 -79.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.791 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -36.93 -59.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 57' ' ' LEU . 36.0 m -51.89 -44.73 63.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -60.72 -32.69 71.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -87.35 32.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.7 m -90.27 -93.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.642 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.22 -175.28 15.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -47.02 106.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.231 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -114.96 -176.48 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.878 HG23 ' HB ' ' A' ' 151' ' ' THR . 13.5 m -156.14 90.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.862 HG12 ' HB2' ' A' ' 70' ' ' ALA . 6.3 t -53.73 139.55 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.6 m-85 -128.62 64.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.862 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.13 133.4 26.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -135.579 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.936 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.0 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 24.8 p -58.98 179.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -62.21 -28.02 69.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -15.69 50.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.763 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.44 -42.44 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.754 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 54.7 m-85 -79.88 -35.01 38.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -61.02 -32.56 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -51.97 -54.98 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.73 151.72 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 147.39 33.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.33 -54.99 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -39.02 -50.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.94 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.21 -51.72 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.402 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.3 mm -58.39 -56.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.36 -22.83 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 89' ' ' THR . 1.5 tp10 -81.26 -49.97 10.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.668 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.6 mt -51.91 -42.49 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' CE ' HG22 ' A' ' 84' ' ' ILE . 1.9 mtmp? -67.43 -3.08 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.1 t -132.04 11.37 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.527 ' ND2' HD23 ' A' ' 87' ' ' LEU . 38.4 m-20 -109.5 -160.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.6 t 169.74 -28.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.5 p -105.81 25.65 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -45.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.028 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -73.43 -52.61 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.2 m -39.28 -45.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.533 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.71 -45.42 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.607 HG22 HD23 ' A' ' 98' ' ' LEU . 1.5 mt -60.82 -58.02 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 97' ' ' ILE . 1.1 mt -47.42 -58.45 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.679 HG22 HD11 ' A' ' 57' ' ' LEU . 1.8 p -52.28 -46.46 65.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 160' ' ' MET . 10.4 t80 -62.67 -15.81 54.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.707 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 18.6 m-70 -92.25 20.7 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -155.07 130.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.811 HG22 ' HA ' ' A' ' 118' ' ' THR . 4.1 t -105.2 162.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -121.71 101.93 7.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 160.77 -48.05 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.642 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 79.59 127.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 6.0 m -162.08 125.28 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 p -50.18 166.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.437 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.5 Cg_endo -74.97 48.67 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.28 -44.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 21.9 m-20 -98.77 -27.54 13.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 126' ' ' VAL . 2.5 p -52.54 -20.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.549 HG23 ' HA ' ' A' ' 127' ' ' THR . 9.8 p -68.07 150.69 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.28 -102.58 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.8 m -135.57 116.05 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.883 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -108.17 127.91 54.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.68 101.73 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.811 ' HA ' HG22 ' A' ' 103' ' ' VAL . 7.3 p -61.56 155.79 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.067 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -61.3 -24.82 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 1.067 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.33 -27.2 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.93 -23.81 9.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.531 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -76.31 -178.34 4.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.4 p -112.48 153.53 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.2 p -128.56 103.31 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.8 m -63.39 103.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.66 HG13 ' CG2' ' A' ' 135' ' ' VAL . 25.1 t -96.43 157.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.549 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.94 166.72 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.444 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -175.41 150.46 10.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 131' ' ' ASN . 17.3 pt20 -179.34 122.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 59.6 -82.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 129' ' ' GLN . 18.2 m120 -146.58 153.93 40.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.31 89.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.447 ' HB3' HG21 ' A' ' 140' ' ' VAL . 7.7 mp -78.2 172.88 12.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 9.2 mttt -137.78 155.5 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.66 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.5 t -151.97 119.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.05 44.43 9.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 6.9 t30 86.89 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.757 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -58.39 174.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.459 ' N ' ' OD2' ' A' ' 156' ' ' ASP . 14.3 m-20 -121.13 112.98 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 133' ' ' LEU . 72.9 t -57.27 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.571 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.2 t -61.52 -61.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.1 t -145.59 105.47 4.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.01 167.18 12.26 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.86 16.07 68.72 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.861 HG13 HG22 ' A' ' 22' ' ' VAL . 1.5 t -88.37 57.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.1 m -47.41 127.23 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.2 p -92.75 -106.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . . . -91.85 -72.61 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 4.7 p30 -130.11 25.38 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.826 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -150.34 144.55 25.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.878 ' HB ' HG23 ' A' ' 67' ' ' THR . 23.9 m -81.61 172.87 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.475 ' H ' HG22 ' A' ' 151' ' ' THR . 1.7 t -138.54 125.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.63 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.2 m-85 -135.3 87.1 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.696 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -65.58 120.62 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.757 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.2 pp -113.38 178.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 11.3 p-10 -118.97 52.27 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.1 m -176.56 125.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 75' ' ' ALA . 22.0 t -70.02 70.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.602 HD11 ' CG1' ' A' ' 135' ' ' VAL . 62.5 mt -29.15 145.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.596 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.29 143.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.533 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 135.23 18.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.99 3.27 5.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.47 160.32 36.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 22' ' ' VAL . 2.4 mm? -84.54 -171.02 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.733 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.9 m -133.08 141.91 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.13 153.26 10.05 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -62.98 -39.97 98.73 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.76 -34.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -70.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.8 tm-20 -45.83 -50.46 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' ALA . 59.7 t80 -43.46 -65.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.7 -47.88 7.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.89 -39.21 38.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.06 -47.54 14.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -122.63 77.48 47.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -25.35 11.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.3 p -132.2 -168.16 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.62 179.21 51.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.42 1.075 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.69 20.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.841 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -82.05 6.17 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 90.4 p -86.6 169.04 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 145' ' ' VAL . 55.7 t -63.92 -37.33 79.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -31.91 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -62.06 -28.24 70.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.522 ' SD ' HG12 ' A' ' 145' ' ' VAL . 21.2 ptp -88.43 -9.74 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 147' ' ' THR . 43.2 m -76.89 -26.25 53.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.6 -26.03 64.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -108.31 169.13 6.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' CB ' ' OD1' ' A' ' 62' ' ' ASN . 18.3 Cg_endo -75.03 161.15 39.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.62 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 9.8 p -36.13 -34.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -65.53 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 31' ' ' ALA . 16.0 t -33.19 -48.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 147' ' ' THR . . . -37.03 -54.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -74.47 -39.56 62.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.567 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.8 t -47.54 -25.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.79 -46.76 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.857 ' O ' HG23 ' A' ' 41' ' ' THR . 4.0 t-20 -54.1 130.55 59.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -171.797 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.04 1.61 7.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 72' ' ' THR . 2.0 mm-40 -116.95 -7.78 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 154' ' ' MET . 59.8 mt -107.08 -28.08 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.9 p -36.83 -32.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.475 HG22 ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -69.05 -55.88 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.927 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.01 -52.36 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.737 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.5 m -46.93 -52.48 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -46.7 -36.12 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.9 -69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.796 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.79 -62.08 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.85 ' HA ' HG23 ' A' ' 58' ' ' VAL . 97.3 p -44.41 -61.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 144.63 -22.96 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.542 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.7 mt-30 -38.78 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 -48.14 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -132.04 127.19 20.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 5.09 4.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.43 3.24 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.6 t -123.45 140.5 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 6.0 p30 -162.87 105.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB3' HD22 ' A' ' 61' ' ' LEU . 13.9 mt -109.87 -20.85 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.85 HG23 ' HA ' ' A' ' 48' ' ' SER . 19.6 t -38.4 -33.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.2 t70 -77.46 -54.27 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' LEU . 92.5 m -58.99 -61.79 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -39.94 -37.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 29' ' ' PRO . 1.8 m-80 -85.2 48.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB2' ' OH ' ' A' ' 66' ' ' TYR . 2.6 m -106.09 -94.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -116.52 178.6 17.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -50.12 108.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 8.4 m-30 -111.97 -170.17 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.985 HG23 ' HB ' ' A' ' 151' ' ' THR . 41.6 m -152.49 86.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.984 HG12 ' HB2' ' A' ' 70' ' ' ALA . 35.2 t -52.54 135.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.736 ' CD2' HG23 ' A' ' 103' ' ' VAL . 16.9 m-85 -126.54 72.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.984 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -107.06 125.48 32.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 -136.303 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.927 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.94 118.53 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.815 HG22 ' SD ' ' A' ' 154' ' ' MET . 4.0 p -59.26 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -87.14 10.33 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.6 -9.34 11.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -82.03 -55.82 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.863 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 63.8 m-85 -64.84 -32.0 73.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -58.49 -38.53 77.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 24.3 mtpt -51.71 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.73 HD22 ' H ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -37.47 154.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.51 23.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.13 -51.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -47.39 84.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.79 -57.08 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.54 -23.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 89' ' ' THR . 1.1 tp10 -81.54 -47.92 12.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 6.4 mt -53.56 -22.66 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 12.5 mttt -88.7 23.4 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 86' ' ' GLU . 10.2 t -168.39 34.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' A' ' 93' ' ' LEU . 79.0 m-20 -122.53 -41.78 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER 39.39 29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 90' ' ' ASN . 1.8 m -149.71 -53.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.685 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -81.12 -17.5 49.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -89.56 -38.57 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 99' ' ' THR . 1.8 m -54.73 -43.98 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.517 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -56.1 -37.78 69.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -64.33 -55.26 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -46.9 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 95' ' ' THR . 67.6 p -43.2 -52.28 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 5.4 t80 -58.45 -18.14 26.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.642 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 53.5 m-70 -93.98 23.71 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -164.19 115.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 117' ' ' GLN . 15.7 t -102.72 146.47 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.86 113.36 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.485 ' O ' ' NH1' ' A' ' 116' ' ' ARG . . . 124.63 97.65 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.96 131.84 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.435 ' HB ' HG13 ' A' ' 112' ' ' VAL . 38.6 m -145.69 134.34 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 1.6 p -67.66 163.17 51.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.733 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.03 46.08 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.31 18.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' VAL . 23.5 m-80 -151.72 -50.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.28 -40.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.905 HG23 ' HA ' ' A' ' 127' ' ' THR . 3.2 p -40.34 138.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.49 -171.74 17.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.657 HG23 ' HB3' ' A' ' 123' ' ' SER . 1.2 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.786 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.732 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -111.22 113.77 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.817 ' O ' HG13 ' A' ' 103' ' ' VAL . 32.0 tt0 -69.5 103.62 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.609 ' HA ' HG13 ' A' ' 103' ' ' VAL . 4.7 p -80.94 173.33 12.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.463 ' C ' ' N ' ' A' ' 121' ' ' GLY . 17.5 mt -55.77 -57.83 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -40.0 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 106.39 -18.77 38.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 118' ' ' THR . . . -76.03 142.27 41.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 115' ' ' THR . 1.1 m -84.68 128.51 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.3 p -100.98 99.69 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 27.8 m -65.04 77.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 124' ' ' VAL . 40.2 t -63.99 165.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.905 ' HA ' HG23 ' A' ' 113' ' ' VAL . 17.3 m -155.77 173.62 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.483 ' H ' HG22 ' A' ' 127' ' ' THR . . . -152.78 129.34 2.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.69 -174.36 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.05 108.48 2.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.5 m120 46.81 57.01 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.52 106.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.38 163.52 12.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.521 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -130.06 154.5 47.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.026 HG12 HD21 ' A' ' 159' ' ' LEU . 2.0 t -141.29 103.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 65.17 -58.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.521 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -156.31 -39.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -59.85 170.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' C ' HG22 ' A' ' 155' ' ' ILE . 21.8 m-20 -114.54 122.29 46.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.1 136.33 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 154' ' ' MET . 3.1 t -114.55 -56.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.2 t -144.28 96.74 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.336 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.32 163.28 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.5 58.23 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 22' ' ' VAL . 1.5 t -89.1 52.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 61.5 m -47.2 126.94 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.534 HG22 ' HB1' ' A' ' 33' ' ' ALA . 2.9 p -84.95 -111.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -102.13 -38.55 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -158.98 47.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -178.45 132.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.985 ' HB ' HG23 ' A' ' 67' ' ' THR . 17.3 m -71.35 172.34 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -143.5 125.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.577 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 96.8 m-85 -133.25 94.66 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.815 ' SD ' HG22 ' A' ' 72' ' ' THR . 15.3 mtm -70.71 115.81 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 1.022 HD13 ' O ' ' A' ' 157' ' ' SER . 1.2 pp -109.56 168.07 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.487 ' O ' ' OG ' ' A' ' 157' ' ' SER . 7.0 p-10 -100.15 44.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 157' ' ' SER . . . . . 1.022 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -174.67 140.62 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.858 HG23 ' HG2' ' A' ' 160' ' ' MET . 0.8 OUTLIER -76.54 32.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.026 HD21 HG12 ' A' ' 135' ' ' VAL . 35.4 mt 36.73 -92.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.858 ' HG2' HG23 ' A' ' 158' ' ' VAL . 4.9 mtp 92.53 137.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.99 138.96 23.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 161' ' ' PRO . 18.5 Cg_endo -74.98 78.89 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.051 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.949 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' C ' HD22 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -87.44 84.38 7.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 0.781 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD22 ' C ' ' A' ' 1' ' ' GLY . 2.7 mm? -114.45 -178.99 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 143' ' ' GLY . 26.4 m -124.66 134.62 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 141' ' ' VAL . . . 111.85 152.3 11.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -175.033 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.93 -67.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.696 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -36.47 -35.49 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.54 -30.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -86.0 -66.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.774 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 22.1 mt-10 -45.22 -49.69 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -53.11 -65.57 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.66 -39.67 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.42 -30.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 -33.31 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.717 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 16.7 m-80 -123.57 79.28 55.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.3 p -114.92 -15.97 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -45.41 177.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.63 21.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -104.91 32.45 4.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.7 p -107.68 173.33 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 145' ' ' VAL . 43.2 t -56.61 -48.32 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 26' ' ' SER . 54.2 tt0 -82.39 -47.41 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -47.14 25.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.785 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.5 ptp -68.66 -17.4 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 3.6 t -64.68 -40.84 96.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -66.26 -10.87 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.536 ' CG ' HG12 ' A' ' 32' ' ' VAL . 66.1 m-20 -100.67 146.4 32.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.02 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.798 HG13 ' H ' ' A' ' 31' ' ' ALA . 9.7 p 29.92 -119.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.798 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -10.14 -71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.6 -62.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.785 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -30.81 -75.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.804 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -50.62 -37.38 39.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.946 ' HB3' HG21 ' A' ' 44' ' ' THR . 0.7 OUTLIER -59.18 -15.64 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.17 -18.94 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -61.0 128.34 89.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 169.586 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.689 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -75.0 7.67 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.678 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.61 -18.92 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -103.92 -14.51 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -41.72 -31.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -72.25 -49.35 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.04 -57.92 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.946 HG21 ' HB3' ' A' ' 35' ' ' SER . 1.1 m -48.25 -63.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -36.62 -37.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.78 -70.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.869 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -49.87 -60.11 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.05 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 154.83 -22.81 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.422 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.3 mt-30 -43.14 -26.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 1.7 tp -92.01 -40.51 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.32 121.19 10.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 8.95 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -116.34 9.91 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.861 HG21 ' CD2' ' A' ' 94' ' ' LEU . 1.5 t -130.35 151.71 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' SER . 3.1 p30 -169.56 109.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' THR . 16.6 mt -126.95 -38.32 2.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.732 HG23 ' HB1' ' A' ' 31' ' ' ALA . 7.4 p -31.41 -59.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -45.07 -52.62 8.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -60.65 -58.72 7.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.737 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.1 mt -35.61 -34.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 60' ' ' THR . 34.3 t30 -88.33 53.3 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.29 110.0 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 87.87 138.16 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.4 mp0 -52.23 104.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 6.5 m-30 -109.22 -174.85 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 151' ' ' THR . 35.7 m -149.32 90.71 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.917 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.8 t -54.51 142.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.48 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 11.0 m-85 -133.21 59.64 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.917 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.78 129.03 29.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -136.471 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 108.43 2.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.558 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 71.6 p -56.04 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -87.18 -8.59 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.595 ' N ' HD22 ' A' ' 73' ' ' ASN . . . -106.32 21.69 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 158' ' ' VAL . . . -118.07 -36.96 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 41.4 m-85 -86.52 -24.7 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.8 m -71.56 -7.5 48.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 74' ' ' ALA . 3.4 mtmm -81.27 -10.83 59.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 HG21 ' A' ' 158' ' ' VAL . 2.4 mt -110.69 155.94 41.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.23 42.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.83 -38.25 61.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.37 -49.4 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -49.34 77.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.43 -39.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.44 -30.35 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -72.15 -39.33 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.588 ' HB3' HD13 ' A' ' 94' ' ' LEU . 6.1 mt -62.26 -35.37 78.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 15.7 mttt -73.33 1.85 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 86' ' ' GLU . 12.0 t -144.7 36.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' SER . 96.6 m-20 -119.05 -85.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.8 t 83.56 -3.34 1.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p -125.55 -41.44 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -90.13 -25.33 20.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.861 ' CD2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -81.42 -57.18 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 t -41.87 -41.0 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.94 -49.66 74.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.414 HG22 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -59.5 -51.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD21 HD12 ' A' ' 94' ' ' LEU . 1.6 mt -51.54 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 22.6 p -49.44 -45.68 46.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.656 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.4 t80 -59.42 -25.21 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.734 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 20.8 m-70 -85.22 16.31 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.457 HG11 HD22 ' A' ' 61' ' ' LEU . 2.2 t -148.85 147.31 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.897 HG22 ' HA ' ' A' ' 118' ' ' THR . 30.0 t -129.99 141.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.582 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -91.97 99.94 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.36 90.05 0.28 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.25 140.54 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.8 m -159.8 129.04 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.442 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -60.27 165.0 5.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.84 -46.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -96.84 -25.9 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.744 HG13 HG11 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -50.66 -26.96 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.522 ' HA ' HG12 ' A' ' 126' ' ' VAL . 10.2 p -58.9 154.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.55 -167.29 44.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 25.1 m -67.95 122.37 18.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.779 HH21 ' HB3' ' A' ' 117' ' ' GLN . 4.9 tpm_? -130.43 133.41 46.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.869 ' O ' HG13 ' A' ' 103' ' ' VAL . 40.4 tt0 -73.67 128.12 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.897 ' HA ' HG22 ' A' ' 103' ' ' VAL . 68.5 p -103.22 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.582 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 14.2 mt -59.59 -49.08 79.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.494 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 22.3 tp60 -49.95 -20.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.71 -30.24 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.81 175.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 0.809 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.438 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 0.3 OUTLIER -113.46 138.68 49.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.2 p -106.02 121.75 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.3 m -73.72 72.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.744 HG11 HG13 ' A' ' 112' ' ' VAL . 27.7 t -60.76 149.28 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 128' ' ' GLY . 7.4 m -148.1 176.07 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.73 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . -156.83 118.72 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.54 -155.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 38.04 -124.58 1.38 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -39.5 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.97 -44.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.73 HD23 ' HA2' ' A' ' 128' ' ' GLY . 9.4 mt -154.99 161.17 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 127' ' ' THR . 60.7 mttt -139.98 160.78 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.746 ' CG1' HD11 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -153.97 120.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.03 48.13 6.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.2 t30 87.79 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.666 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -52.18 176.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 141' ' ' VAL . 1.5 m-20 -123.23 116.75 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 41.7 t -58.43 88.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.696 HG12 ' HA3' ' A' ' 7' ' ' GLY . 4.2 t -57.08 -59.48 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.733 ' SG ' HG21 ' A' ' 145' ' ' VAL . 43.5 t -144.64 98.9 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.623 ' O ' HG22 ' A' ' 4' ' ' VAL . . . -110.88 168.86 13.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.29 27.1 70.54 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 22' ' ' VAL . 6.6 t -100.65 51.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.1 m -36.59 112.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.7 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.9 OUTLIER -75.82 -97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -107.27 -78.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.7 p30 -121.88 43.17 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -176.77 136.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.951 ' HB ' HG23 ' A' ' 67' ' ' THR . 12.6 m -64.4 174.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.65 HG21 HG23 ' A' ' 147' ' ' THR . 1.4 t -140.41 122.88 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.631 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.3 m-85 -135.88 84.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.827 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.3 mpp? -70.9 112.17 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.666 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -102.67 173.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.43 ' O ' ' OG ' ' A' ' 157' ' ' SER . 17.2 p-10 -111.55 45.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -173.34 119.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 158' ' ' VAL . 1.0 OUTLIER -67.5 74.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.746 HD11 ' CG1' ' A' ' 135' ' ' VAL . 21.3 mt -32.84 154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.656 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 mtt -134.01 144.14 50.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 67.2 5.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 179.999 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' LEU . 9.2 t70 -118.55 131.61 56.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.496 HD21 HG21 ' A' ' 22' ' ' VAL . 1.9 mm? 43.65 -167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.788 HG13 ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -87.98 -176.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.788 ' N ' HG13 ' A' ' 4' ' ' VAL . . . 68.59 159.54 1.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 144.511 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.678 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.1 Cg_endo -75.02 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.734 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.64 -58.8 2.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -37.66 -35.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -56.57 -60.9 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -76.7 -51.69 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLY . 52.0 t80 -35.71 -67.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.22 -56.06 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.37 -36.93 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.18 -44.4 19.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -128.24 76.46 78.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.03 -62.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -123.03 107.28 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.38 -160.63 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.863 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.24 52.33 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -126.24 167.5 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.774 ' HB ' HG13 ' A' ' 145' ' ' VAL . 2.5 m -66.6 -11.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -106.58 -45.48 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.09 -17.88 11.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.596 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 21.9 ptp -99.0 -9.86 23.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.794 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 147' ' ' THR . 26.3 t -75.91 -37.09 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.21 -3.09 47.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -118.31 161.4 35.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 139.24 24.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -22.7 -50.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -47.3 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.459 HG13 ' OG ' ' A' ' 35' ' ' SER . 14.8 t -44.21 -38.39 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.75 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.95 -25.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' VAL . . . -101.92 -32.65 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.63 ' CB ' HG21 ' A' ' 44' ' ' THR . 12.8 p -57.61 -17.02 12.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 53.7 m-80 -79.2 -39.84 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.7 ' HB2' HD12 ' A' ' 40' ' ' LEU . 16.2 t-20 -75.96 138.45 69.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -156.097 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.863 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.06 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -122.58 -4.0 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD22 ' HB1' ' A' ' 70' ' ' ALA . 2.4 mt -121.93 -6.76 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -44.31 -56.95 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -61.55 -32.26 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.949 ' HG ' HD21 ' A' ' 47' ' ' LEU . 1.1 tp -64.11 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.63 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -46.49 -60.28 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -38.06 -38.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.73 -71.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.949 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.76 -61.46 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.658 ' HA ' HG23 ' A' ' 58' ' ' VAL . 38.5 p -42.95 -57.72 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 139.68 -22.01 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.502 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 13.3 mt-30 -37.71 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -84.55 -51.12 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.776 ' HB3' HG13 ' A' ' 55' ' ' VAL . 1.5 t30 -122.66 128.18 25.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 2.7 6.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -115.87 -2.2 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.776 HG13 ' HB3' ' A' ' 52' ' ' ASN . 3.6 m -114.56 130.69 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.675 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.0 p30 -157.83 84.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.857 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -95.54 14.05 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG22 ' HB1' ' A' ' 31' ' ' ALA . 1.3 t -69.91 -65.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.581 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -42.63 -43.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 62' ' ' ASN . 8.3 m -70.76 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.588 HD22 HG21 ' A' ' 102' ' ' VAL . 2.6 mt -39.57 -29.23 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 60' ' ' THR . 44.6 t30 -95.52 57.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 178.16 106.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.15 142.63 12.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mp0 -63.0 105.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.459 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 14.7 m-30 -114.83 -176.44 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.899 HG23 ' HB ' ' A' ' 151' ' ' THR . 19.7 m -147.75 86.53 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.6 t -52.44 135.15 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.546 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 11.6 m-85 -123.75 70.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.13 129.38 35.62 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -139.793 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.921 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.04 122.2 7.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.769 HG21 HG21 ' A' ' 141' ' ' VAL . 36.0 p -64.8 175.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -67.03 -16.87 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.29 -20.04 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.94 -44.0 51.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.5 m-85 -71.46 -42.08 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -55.32 -44.16 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -40.69 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 83' ' ' THR . 13.3 mt -46.75 153.28 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 138.48 22.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -38.58 -36.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -57.47 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.409 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -53.65 -46.42 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.579 HG22 ' HE3' ' A' ' 88' ' ' LYS . 32.1 mm -62.12 -71.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.493 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 3.1 t70 -40.47 -28.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -73.69 -46.54 45.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.679 ' O ' HD22 ' A' ' 94' ' ' LEU . 4.6 mt -49.79 -32.86 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.96 29.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 86' ' ' GLU . 6.3 t -172.52 31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 86.2 m-20 -119.79 -72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.549 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . 8.9 t 75.38 0.02 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.44 -48.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -86.44 -17.95 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.897 HD12 HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -87.49 -45.99 10.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 99' ' ' THR . 47.6 m -57.58 -46.64 83.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 1.2 m -51.68 -35.06 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.575 HD13 ' CG1' ' A' ' 158' ' ' VAL . 5.0 mt -68.14 -64.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.897 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -41.23 -56.17 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 102' ' ' VAL . 1.1 p -51.47 -50.97 58.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.702 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.4 t80 -60.29 -16.46 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.651 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 37.5 m-70 -93.74 23.4 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.568 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -157.89 127.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 118' ' ' THR . 20.7 t -106.97 160.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -102.57 105.11 15.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 126.99 86.16 0.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -36.66 131.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 108' ' ' SER . 25.7 m -131.89 170.89 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.421 ' H ' HG22 ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.52 162.41 22.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.566 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.52 -46.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.04 -22.2 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG13 HG11 ' A' ' 126' ' ' VAL . 9.8 p -51.29 -24.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 126' ' ' VAL . 15.6 t -61.13 131.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.16 164.18 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.416 ' H ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -72.69 86.94 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.4 OUTLIER -76.68 -173.53 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -130.96 98.91 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.777 ' HA ' HG22 ' A' ' 103' ' ' VAL . 66.8 p -54.53 150.6 8.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.074 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -53.21 -24.05 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 1.074 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -62.88 -46.59 87.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 139.19 -26.36 2.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -77.62 161.11 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -93.96 138.02 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.1 p -110.34 106.68 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.5 m -69.12 105.38 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.786 HG22 HG22 ' A' ' 135' ' ' VAL . 45.4 t -99.64 140.51 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.549 ' HA ' HG13 ' A' ' 113' ' ' VAL . 8.7 m -135.57 175.4 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.504 ' H ' HG22 ' A' ' 127' ' ' THR . . . 128.98 -111.21 1.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 19.4 tt0 85.47 83.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 -106.65 3.25 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' SER . 6.3 m120 -94.69 122.79 37.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 m 87.37 123.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 127' ' ' THR . 5.9 mt -128.46 141.12 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.782 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -129.59 164.59 23.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.816 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 1.7 t -166.33 129.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 29.48 79.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER 39.54 49.83 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.87 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -147.96 172.03 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.7 m-20 -122.59 121.56 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 74.5 t -61.42 112.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.769 HG21 HG21 ' A' ' 72' ' ' THR . 2.4 t -80.63 -43.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.588 ' HA ' HG12 ' A' ' 4' ' ' VAL . 36.5 t -163.06 119.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -122.46 -171.63 13.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 60.97 18.74 55.24 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.774 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.4 t -86.57 57.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -47.2 133.44 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.75 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 3.2 p -100.79 -105.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -104.05 -65.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -131.07 38.47 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.617 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -171.61 154.71 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.899 ' HB ' HG23 ' A' ' 67' ' ' THR . 58.5 m -92.73 176.5 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.587 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -140.4 131.43 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.504 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 76.8 m-85 -140.33 91.33 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.555 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -63.5 145.28 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.765 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -138.32 176.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -112.85 31.08 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.87 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.9 m -156.28 145.07 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 158' ' ' VAL . 89.3 t -73.73 13.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 157' ' ' SER . 7.2 mt 48.38 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.702 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 21.9 mtp 77.2 138.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.436 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 127.2 10.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' O ' HD23 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 62.65 28.92 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 1' ' ' GLY . 4.1 mm? -111.0 164.2 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.582 HG21 ' CB ' ' A' ' 109' ' ' PRO . 33.8 m -136.83 137.8 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.24 156.08 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 177.562 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -62.11 -37.11 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -29.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.93 -75.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -44.6 -52.07 8.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ALA . 52.3 t80 -37.31 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.9 -51.42 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -46.58 -47.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.9 -52.36 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.27 80.55 12.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.01 -27.99 9.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.5 p -140.89 -159.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.19 -171.13 54.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.69 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -85.93 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.511 ' O ' ' CE ' ' A' ' 25' ' ' MET . 77.5 p -129.46 177.89 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.956 HG22 ' CG1' ' A' ' 145' ' ' VAL . 4.9 t -72.31 -40.51 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.0 tp60 -89.5 -49.71 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.17 -27.8 2.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.692 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 12.9 ptp -92.96 -22.51 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLN . 2.2 m -64.82 -12.75 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -93.28 11.09 29.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 76.6 m-20 -128.28 152.01 77.28 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 96.9 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.716 HG22 ' N ' ' A' ' 31' ' ' ALA . 3.8 p 29.86 -113.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.716 ' N ' HG22 ' A' ' 30' ' ' VAL . . . -12.06 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.55 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 56.5 t -34.34 -60.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.692 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -40.26 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' C ' HG21 ' A' ' 44' ' ' THR . . . -48.01 -29.35 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.76 ' N ' HG21 ' A' ' 44' ' ' THR . 1.6 p -78.72 47.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -160.16 -40.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.93 ' O ' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -50.55 133.16 26.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 171.38 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 3.64 5.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -121.8 -3.3 9.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD22 ' HB1' ' A' ' 70' ' ' ALA . 38.8 mt -114.13 -30.84 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.6 p -37.79 -33.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.679 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.1 t -70.54 -51.72 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.876 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.94 -54.35 46.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.76 HG21 ' N ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -47.0 -60.72 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -37.82 -40.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.62 -73.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -45.59 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 11.9 p -41.39 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 152.85 -19.42 0.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.98 -22.14 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.746 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD21 ' HE2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -109.36 -46.65 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.8 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -110.79 98.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 11.06 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -122.87 2.98 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.8 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -125.06 175.62 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 8.3 p-10 175.2 113.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 99' ' ' THR . 0.6 OUTLIER -123.99 -41.1 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG13 ' H ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -22.58 -70.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.706 ' H ' HG13 ' A' ' 58' ' ' VAL . 5.0 m-20 -37.58 -57.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 57' ' ' LEU . 14.1 m -57.78 -55.91 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' HG11 ' A' ' 30' ' ' VAL . 8.5 mt -36.16 -43.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -85.01 50.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 60' ' ' THR . 26.7 t -112.15 -91.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -106.13 176.06 21.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.2 mt-30 -56.24 106.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.518 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 8.8 m-30 -110.56 -174.36 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.894 HG23 ' HB ' ' A' ' 151' ' ' THR . 24.8 m -151.26 87.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.9 t -52.7 133.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.651 ' CD2' HG23 ' A' ' 103' ' ' VAL . 13.9 m-85 -125.11 66.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.02 131.81 29.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -138.347 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.876 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.94 114.41 4.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.579 HG21 HG21 ' A' ' 141' ' ' VAL . 19.8 p -58.47 179.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -73.94 -7.87 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -90.88 -22.84 20.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HB2' ' N ' ' A' ' 157' ' ' SER . . . -75.85 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.748 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.3 m-85 -55.18 -43.36 74.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -48.73 -54.46 14.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' SER . 6.6 mtmt -37.26 -57.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 79' ' ' LEU . 6.4 mt -49.82 145.12 9.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.0 147.08 33.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.42 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -49.61 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.97 -53.07 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.52 -57.28 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.91 -22.44 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 4.2 tp10 -80.18 -50.61 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.834 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.7 mt -55.08 -26.46 37.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HE2' HD21 ' A' ' 51' ' ' LEU . 22.9 mttt -78.73 1.77 21.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 p -141.48 12.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.543 ' ND2' HD23 ' A' ' 87' ' ' LEU . 26.7 m-20 -107.37 -163.02 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 95' ' ' THR . 5.3 p 173.83 -30.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -105.54 33.76 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.81 -44.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -77.32 -52.03 9.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 91' ' ' SER . 1.8 m -40.83 -44.11 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -54.24 -48.28 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.69 HG22 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -57.5 -55.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.69 HD23 HG22 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -50.21 -61.5 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.733 HG22 HD21 ' A' ' 57' ' ' LEU . 2.2 p -49.87 -41.28 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.712 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.8 t80 -67.48 -17.85 64.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.708 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 26.8 m-70 -90.31 19.56 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.576 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.77 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.651 HG23 ' CD2' ' A' ' 69' ' ' PHE . 56.0 t -103.06 152.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.17 95.88 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.63 100.39 0.33 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 133.23 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.653 HG21 ' NH2' ' A' ' 116' ' ' ARG . 17.5 m -152.63 147.16 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.4 p -78.69 164.5 55.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.582 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 49.07 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.14 21.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 112' ' ' VAL . 5.3 m120 -157.63 -52.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.46 -42.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 111' ' ' ASN . 3.0 t -39.76 159.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 113' ' ' VAL . . . 105.67 -136.65 13.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.8 m -126.93 99.11 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.653 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -92.46 -179.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -125.66 97.78 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 103' ' ' VAL . 19.3 p -54.45 167.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.676 HD11 HG22 ' A' ' 99' ' ' THR . 0.5 OUTLIER -67.83 -25.37 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 30.9 tp60 -66.45 -11.95 54.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.5 -21.84 42.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -77.91 168.09 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.7 m -100.82 144.51 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.34 117.13 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -78.98 91.02 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.823 HG13 ' CG2' ' A' ' 135' ' ' VAL . 24.3 t -86.31 147.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.467 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -153.32 172.97 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.59 160.01 10.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -109.91 -80.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.753 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -135.9 -67.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 -84.31 99.6 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.608 ' C ' HD12 ' A' ' 133' ' ' LEU . 1.6 m 82.51 108.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.608 HD12 ' C ' ' A' ' 132' ' ' SER . 4.3 mp -111.98 171.67 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 135' ' ' VAL . 9.3 mttt -131.9 159.91 37.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.823 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.4 t -156.98 118.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 48.86 39.5 25.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.1 t30 89.14 -29.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.809 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -61.1 174.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.6 m-20 -122.91 112.09 17.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 154' ' ' MET . 57.4 t -56.7 97.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -66.65 -52.35 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 17.9 t -150.94 105.24 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.85 165.01 12.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.05 17.66 62.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.956 ' CG1' HG22 ' A' ' 22' ' ' VAL . 2.1 t -88.22 53.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.532 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.3 m -44.57 122.95 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.7 OUTLIER -87.58 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.34 -74.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 8.5 p30 -120.99 34.79 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.596 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -167.53 147.85 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.894 ' HB ' HG23 ' A' ' 67' ' ' THR . 20.6 m -85.12 176.76 8.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.569 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -141.51 126.23 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.52 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.2 m-85 -136.39 88.39 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 72' ' ' THR . 2.0 mtm -60.67 137.79 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.809 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.4 pp -135.26 161.35 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 13.5 p-10 -104.08 51.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.63 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.4 m -169.14 141.09 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 158' ' ' VAL . 62.7 t -82.13 68.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.749 HD11 ' CG1' ' A' ' 135' ' ' VAL . 18.9 mt -27.27 140.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.712 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -133.04 141.52 41.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.444 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.98 58.07 4.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 54.59 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.535 HD12 ' SG ' ' A' ' 142' ' ' CYS . 4.3 mm? -94.17 -178.66 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.756 ' CG1' HD22 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -141.03 9.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -128.59 151.3 18.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -169.307 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.607 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.98 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.748 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.15 -58.31 1.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -36.24 -34.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -63.5 -64.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.0 tt0 -70.55 -54.46 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.6 t80 -39.65 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.62 -45.56 4.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -40.32 -32.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.85 -41.18 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -121.01 79.39 33.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -41.44 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' OG ' ' A' ' 21' ' ' SER . 77.3 p -124.79 -164.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.64 -174.93 50.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.33 20.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.842 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -103.14 45.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.432 ' OG ' ' C ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -125.19 173.52 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.959 HG13 HG13 ' A' ' 145' ' ' VAL . 3.5 t -63.42 -44.25 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -87.95 -47.58 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.21 -51.84 7.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.784 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 7.4 ptp -57.04 -20.85 26.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 5.3 t -61.35 -38.89 88.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.0 -7.79 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.505 ' CG ' HG12 ' A' ' 32' ' ' VAL . 74.7 m-20 -104.63 145.14 30.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.94 98.03 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.9 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.4 p 30.68 -122.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.763 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.24 -70.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.551 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 79.4 t -31.06 -63.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -30.64 -70.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.75 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -48.88 -45.61 41.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' SER . . . . . 1.118 ' N ' HG21 ' A' ' 44' ' ' THR . 4.7 m -51.78 -20.26 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 6.0 m120 -138.99 28.76 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.692 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -85.13 133.17 43.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 129.963 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.842 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.759 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.2 mt-10 -116.01 -18.59 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.046 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.16 -16.58 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -38.28 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 40' ' ' LEU . 4.3 m -72.93 -54.72 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.695 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -53.99 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.118 HG21 ' N ' ' A' ' 35' ' ' SER . 81.3 p -47.78 -60.56 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.52 -39.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.698 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.06 -69.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.695 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.47 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.36 -67.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.26 -18.62 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.6 mt-30 -46.16 -24.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -98.32 -53.62 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -120.33 116.13 32.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 13.01 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.9 mt-30 -119.59 8.66 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.514 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 39.0 t -127.99 158.13 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.1 p-10 -177.27 107.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.687 HD11 HG23 ' A' ' 99' ' ' THR . 13.7 mt -116.6 -36.87 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.776 HG13 ' H ' ' A' ' 59' ' ' ASP . 1.3 p -28.33 -72.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.776 ' H ' HG13 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.86 -50.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.4 m -66.77 -55.8 13.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.9 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.66 -26.47 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' VAL . 38.8 t30 -91.09 49.4 1.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -177.28 104.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.1 138.67 8.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.1 mt-30 -62.14 101.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.4 m-30 -112.19 -175.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.854 HG23 ' HB ' ' A' ' 151' ' ' THR . 14.9 m -143.48 86.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' A' ' 70' ' ' ALA . 61.7 t -52.34 134.61 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -125.42 68.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -102.13 124.9 38.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -139.387 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.774 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.561 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 76.8 p -56.39 -160.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.47 -25.9 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.99 -2.15 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -95.46 -48.72 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 51.1 m-85 -77.85 -36.78 49.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -55.96 -21.82 23.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 4.4 mtmt -66.14 -51.34 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 83' ' ' THR . 51.9 mt -62.75 151.55 84.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.9 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.48 -33.53 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.96 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.576 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -58.97 -45.13 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.2 -45.63 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -23.28 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -79.45 -47.89 14.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 6.9 mt -59.49 -16.63 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.756 ' O ' HG23 ' A' ' 89' ' ' THR . 21.3 mtmt -88.9 15.19 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.44 32.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.587 ' ND2' HD23 ' A' ' 93' ' ' LEU . 97.2 m-20 -116.81 -73.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.514 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 29.5 t 67.22 11.06 8.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.5 p -133.74 -44.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.587 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -89.12 -22.86 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.973 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.49 -47.44 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.43 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 38.1 m -50.96 -34.67 29.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -62.84 -36.88 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 101' ' ' HIS . 4.0 mt -69.81 -57.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.973 HD21 HD12 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -43.97 -62.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.893 HG22 HD22 ' A' ' 119' ' ' LEU . 3.3 p -49.04 -49.69 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.644 ' CE2' ' O ' ' A' ' 160' ' ' MET . 30.3 t80 -62.41 -9.1 7.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.798 ' CE1' HD11 ' A' ' 155' ' ' ILE . 21.8 m-70 -101.17 25.16 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -157.85 120.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 1.028 HG13 ' O ' ' A' ' 117' ' ' GLN . 73.0 t -102.06 139.79 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 116.38 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.22 86.01 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.3 OUTLIER -39.15 146.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 0.736 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.0 m -159.86 159.14 32.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -98.76 165.58 14.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -138.61 -46.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -99.26 -30.93 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.714 HG13 HG11 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -42.72 -33.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.75 HG23 ' HA ' ' A' ' 127' ' ' THR . 2.4 p -55.97 131.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.44 -170.6 13.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.4 m -71.14 110.09 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.748 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -120.55 125.1 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 1.028 ' O ' HG13 ' A' ' 103' ' ' VAL . 29.4 tt0 -70.25 124.57 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.617 HG22 HG22 ' A' ' 103' ' ' VAL . 43.9 p -96.29 170.82 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.893 HD22 HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -51.37 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -36.16 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 115.07 -23.83 11.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -63.21 -170.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 p -123.41 139.01 54.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 116' ' ' ARG . 11.0 p -114.35 106.17 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 m -74.37 79.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.714 HG11 HG13 ' A' ' 112' ' ' VAL . 21.4 t -67.26 154.63 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.75 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -153.52 179.11 9.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 150.55 161.8 10.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 3.3 tt0 156.57 96.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 109.11 64.5 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.0 m120 41.8 54.29 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.499 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -178.4 94.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.756 HD22 ' CG1' ' A' ' 4' ' ' VAL . 2.8 mp -102.1 142.99 32.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 135' ' ' VAL . 2.5 mtmm -116.51 166.52 12.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.697 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.1 t -155.79 123.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 38.65 45.71 2.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 17.2 t-20 88.91 -42.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -56.28 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.806 ' O ' HG22 ' A' ' 155' ' ' ILE . 6.2 m-20 -123.06 173.76 7.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 74.3 t -114.23 95.09 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.748 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -63.78 -53.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' A' ' 145' ' ' VAL . 41.2 t -154.22 104.12 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.76 162.17 12.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.79 69.43 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.959 HG13 HG13 ' A' ' 22' ' ' VAL . 5.3 t -88.53 53.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 0.9 OUTLIER -37.48 112.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.645 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.0 OUTLIER -78.06 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.8 -84.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.9 p30 -111.06 39.66 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -175.83 151.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.854 ' HB ' HG23 ' A' ' 67' ' ' THR . 7.2 m -80.01 177.69 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 151' ' ' THR . 1.6 t -142.22 123.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.567 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.9 m-85 -134.47 84.69 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.572 ' SD ' HD21 ' A' ' 40' ' ' LEU . 12.7 mtm -61.46 137.74 58.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.806 HG22 ' O ' ' A' ' 139' ' ' ASP . 7.2 pt -125.53 179.31 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.481 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 5.5 p-10 -115.76 27.42 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -158.46 138.43 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 158' ' ' VAL . 1.1 m -74.04 61.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 158' ' ' VAL . 1.2 tp -20.3 133.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.644 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.3 mtt -124.92 148.79 60.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.449 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 138.91 23.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.0 67.37 5.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.22 32.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.734 HD13 ' SG ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -88.11 -171.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.821 HG21 ' HB2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -104.25 -5.66 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -114.91 149.93 18.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -159.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.99 -65.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.24 -37.09 4.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.734 ' SG ' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.11 -38.76 40.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.82 -65.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -65.83 -49.76 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' ALA . 85.0 t80 -34.89 -60.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -36.63 -60.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . . . -39.77 -47.55 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.9 -52.33 51.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.544 ' ND2' ' HB3' ' A' ' 20' ' ' ALA . 26.6 m120 -121.14 79.01 34.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.97 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.2 p -119.6 -10.84 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.79 -178.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.15 3.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -66.89 -9.7 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -61.82 165.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.084 HG12 HG13 ' A' ' 145' ' ' VAL . 27.0 m -58.56 -38.85 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' SER . 2.5 tp60 -88.23 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.57 -20.35 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.708 ' HG3' HG22 ' A' ' 147' ' ' THR . 18.5 ptp -102.21 -17.02 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' HA ' ' C ' ' A' ' 147' ' ' THR . 74.0 m -62.96 -36.74 84.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.36 -10.73 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 46.7 m-20 -104.8 145.97 31.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.618 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.778 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 27.86 -103.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.778 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -17.84 -78.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.618 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 71.0 t -34.52 -60.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -37.63 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.875 ' C ' HG21 ' A' ' 44' ' ' THR . . . -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.775 ' N ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -76.31 48.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -170.15 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.898 ' O ' HG23 ' A' ' 41' ' ' THR . 15.9 m-80 -48.43 127.63 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 160.574 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.635 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 4.55 4.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.449 1.763 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.714 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.2 mm-40 -119.92 -6.81 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.714 HD23 ' C ' ' A' ' 39' ' ' GLU . 7.5 mt -115.65 -32.51 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.1 p -34.24 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.4 m -69.06 -56.83 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.919 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.09 -51.81 68.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.875 HG21 ' C ' ' A' ' 34' ' ' ALA . 5.1 p -47.56 -54.99 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -42.81 -38.62 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.77 -70.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -47.6 -61.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.924 ' HA ' HG23 ' A' ' 58' ' ' VAL . 88.5 p -42.24 -48.64 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 131.85 -22.15 4.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 5.5 mm-40 -38.36 -56.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -56.6 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.63 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -112.12 118.52 45.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 4.04 5.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.33 5.27 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 47' ' ' LEU . 2.3 t -128.41 153.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -169.1 93.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.87 14.22 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.924 HG23 ' HA ' ' A' ' 48' ' ' SER . 1.9 t -66.86 -33.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -81.63 -37.87 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 63' ' ' SER . 18.3 m -67.37 -62.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.756 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 6.8 mt -39.15 -48.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -81.74 51.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 60' ' ' THR . 14.4 t -108.79 -93.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.82 177.97 19.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -49.33 105.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.5 m-30 -112.7 -175.37 2.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.98 HG23 ' HB ' ' A' ' 151' ' ' THR . 34.8 m -153.59 87.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.885 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.4 t -51.03 134.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 8.7 m-85 -125.83 65.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.885 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.91 129.53 32.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -137.548 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.914 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 117.24 4.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 155' ' ' ILE . 39.9 p -60.76 170.05 1.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -61.38 -35.02 76.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.74 -28.53 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HA ' ' HZ1' ' A' ' 78' ' ' LYS . . . -70.0 -46.38 65.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 28.5 m-85 -68.86 -42.59 76.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -49.18 -49.59 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HZ3' ' HA ' ' A' ' 157' ' ' SER . 4.3 mtmp? -40.75 -65.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD13 HG21 ' A' ' 83' ' ' THR . 6.4 mt -42.71 146.96 0.67 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.99 -50.27 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 p -40.93 -51.3 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.499 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -58.41 -49.7 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.53 -49.45 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.74 -21.5 41.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -48.96 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.1 mt -56.12 -20.82 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -85.74 12.49 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.1 t -163.9 36.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 91' ' ' SER . 94.0 m-20 -114.71 -90.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 t 88.26 2.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 t -126.77 -46.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 tp -85.7 -25.25 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.948 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.69 -49.44 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 99' ' ' THR . 2.5 m -47.99 -42.77 28.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 14.1 m -60.06 -37.04 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 101' ' ' HIS . 3.1 mt -66.88 -60.15 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.948 HD21 HD12 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -43.67 -62.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 95' ' ' THR . 79.1 p -48.18 -45.35 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CE2' ' O ' ' A' ' 160' ' ' MET . 47.4 t80 -69.09 -10.67 58.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.645 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 11.6 m-70 -100.4 17.54 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -156.1 117.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 117' ' ' GLN . 71.5 t -94.18 148.94 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.56 101.61 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.38 -55.03 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 2.3 tt0 76.89 133.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 67.0 m -147.3 -91.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER 168.17 163.58 0.15 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.956 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.821 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -152.95 -44.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 20.7 m-20 -98.92 -37.38 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.601 HG13 HG11 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -41.15 -27.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' A' ' 127' ' ' THR . 10.0 p -59.69 138.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.67 170.38 20.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.59 103.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.588 ' HB2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -104.7 -177.28 3.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.904 ' O ' HG13 ' A' ' 103' ' ' VAL . 12.8 tt0 -126.33 128.8 47.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.167 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.455 ' HA ' HG22 ' A' ' 103' ' ' VAL . 69.2 p -94.45 146.5 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -43.19 -28.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.546 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 1.5 tm0? -56.86 -55.7 31.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.19 -23.26 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.43 175.21 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.5 m -103.69 143.71 32.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.5 p -114.97 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 m -69.76 93.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.605 HG13 HG22 ' A' ' 135' ' ' VAL . 13.2 t -86.23 160.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.657 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -155.87 165.6 35.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 137.6 162.96 9.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.31 -81.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.51 -59.63 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -146.24 79.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.07 52.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.555 ' CD1' HG13 ' A' ' 4' ' ' VAL . 7.0 mt -73.34 110.04 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 156.22 27.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.605 HG22 HG13 ' A' ' 126' ' ' VAL . 2.3 t -139.92 118.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 55.76 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.3 t30 -143.1 21.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -119.35 -179.63 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 20.3 m-20 -125.14 118.71 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -54.68 121.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.449 HG23 ' CA ' ' A' ' 155' ' ' ILE . 2.4 t -94.36 -40.91 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 145' ' ' VAL . 9.7 t -159.27 101.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 152' ' ' VAL . . . -115.32 155.57 16.23 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.51 22.1 32.59 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.084 HG13 HG12 ' A' ' 22' ' ' VAL . 6.0 t -95.58 57.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 21.0 m -45.01 126.26 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.708 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.8 OUTLIER -91.16 -97.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -107.77 -72.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -125.64 30.07 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.648 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -160.3 149.15 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.98 ' HB ' HG23 ' A' ' 67' ' ' THR . 41.9 m -85.87 176.22 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.577 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -136.79 126.61 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.56 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 83.6 m-85 -138.29 87.12 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.49 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.32 147.5 53.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.76 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -136.47 178.48 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -118.78 45.36 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.569 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -170.47 141.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 158' ' ' VAL . 41.3 t -75.52 68.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -33.61 127.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.659 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 8.5 mtt -123.33 149.47 58.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.426 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.94 120.87 6.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.84 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.998 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -81.86 147.54 29.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER 46.24 -170.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 133' ' ' LEU . 10.0 p -148.28 156.53 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.69 156.59 23.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -160.661 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.4 Cg_endo -75.0 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.68 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.51 -47.91 4.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -40.45 -35.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PRO . . . -69.43 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.4 mm-40 -46.08 -55.07 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLY . 60.0 t80 -37.18 -64.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.34 -47.79 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -51.95 -37.97 54.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.19 -44.1 20.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -127.3 78.48 74.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.7 p -137.67 -155.18 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.15 -175.3 51.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.35 20.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.781 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.22 38.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.449 ' O ' ' HE3' ' A' ' 25' ' ' MET . 52.4 p -118.12 165.66 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 HG13 ' A' ' 145' ' ' VAL . 21.7 m -64.32 -32.9 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.703 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -94.36 -47.03 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.09 -19.72 5.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.815 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 18.4 ptp -101.3 -14.63 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -67.22 -22.03 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -84.14 -1.7 55.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' CG ' HG12 ' A' ' 32' ' ' VAL . 78.2 m-20 -112.33 147.99 38.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.5 Cg_endo -74.98 99.49 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.904 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.9 p 29.09 -121.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.8 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.4 -72.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.4 t -32.28 -61.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.815 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.61 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.741 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -41.28 -29.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.691 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.1 OUTLIER -77.71 48.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -166.22 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.693 ' O ' HG23 ' A' ' 41' ' ' THR . 4.4 m-20 -51.99 132.43 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 168.822 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.781 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.07 6.39 3.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.583 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -124.13 -0.93 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.741 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 20.8 mt -120.22 -34.17 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -38.54 -36.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.699 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.5 t -67.44 -50.54 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.838 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.43 -55.35 35.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.691 HG21 ' CB ' ' A' ' 35' ' ' SER . 59.0 m -45.74 -62.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -36.41 -40.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.17 -68.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.721 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -53.91 -61.86 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.7 p -40.47 -67.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.31 -19.94 0.94 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.9 mt-30 -45.42 -24.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 0.768 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -98.54 -52.06 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.639 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -121.62 116.54 30.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 10.74 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.0 mt-30 -119.24 13.57 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 137.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -157.68 83.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 99' ' ' THR . 4.0 mp -87.18 -32.68 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.702 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.0 p -29.6 -64.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.702 ' H ' HG13 ' A' ' 58' ' ' VAL . 4.1 m-20 -42.6 -53.95 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 23.9 m -61.31 -54.74 40.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.904 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.99 -24.01 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -94.38 50.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.87 108.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.15 133.01 7.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.4 mt-30 -54.23 105.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.556 ' HB3' HG23 ' A' ' 102' ' ' VAL . 12.1 m-30 -111.94 -173.28 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.818 HG23 ' HB ' ' A' ' 151' ' ' THR . 22.5 m -149.38 85.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.806 HG12 ' HB2' ' A' ' 70' ' ' ALA . 66.2 t -51.64 132.21 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.658 ' CD2' HG23 ' A' ' 103' ' ' VAL . 11.8 m-85 -122.37 71.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.806 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.98 132.19 26.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -138.617 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.838 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.97 122.97 7.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.524 HG21 HG21 ' A' ' 141' ' ' VAL . 17.2 p -69.79 170.12 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.4 -13.23 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.78 -22.11 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . . . -77.02 -61.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.782 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 61.9 m-85 -54.97 -27.12 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 1.2 m -62.51 -52.93 61.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmm -37.06 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.65 HD21 ' CG2' ' A' ' 158' ' ' VAL . 0.0 OUTLIER -36.49 148.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.04 33.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.57 1.827 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.07 -41.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -57.02 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -46.57 -47.2 19.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.1 -46.34 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -20.52 40.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 89' ' ' THR . 14.2 tp10 -82.65 -51.72 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.526 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.4 mt -54.8 -19.11 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -84.44 7.32 20.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 86' ' ' GLU . 10.6 t -147.53 15.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' A' ' 87' ' ' LEU . 4.0 m-20 -118.48 162.72 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 p -154.71 22.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.77 -47.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -79.1 -27.26 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.959 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.48 -43.91 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.0 m -51.09 -52.0 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -45.45 -45.2 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.753 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -60.38 -56.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.959 HD21 HD12 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -50.96 -60.25 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.919 HG22 HD11 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -50.63 -44.75 57.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.701 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.0 t80 -66.77 -12.95 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.605 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 40.8 m-70 -95.39 23.7 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.883 HG13 HD23 ' A' ' 119' ' ' LEU . 1.1 p -163.72 116.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 117' ' ' GLN . 74.3 t -94.86 146.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 104.67 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 127.44 110.98 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.9 tt0 -67.44 131.52 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.1 m -150.78 130.2 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 p -63.72 166.85 8.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.575 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 50.79 2.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.06 -45.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 23.2 m120 -96.63 -26.91 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.495 HG13 HG11 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -46.9 -24.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 127' ' ' THR . 93.8 t -65.88 139.87 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.88 -166.68 12.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.8 m -83.99 99.01 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.584 ' HD2' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -94.01 177.6 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.889 ' O ' HG13 ' A' ' 103' ' ' VAL . 38.6 tt0 -133.4 115.61 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.616 HG21 ' CD1' ' A' ' 100' ' ' TYR . 49.3 p -75.44 163.78 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.919 HD11 HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -65.18 -27.23 68.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 33.6 tp60 -59.38 -20.08 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 105.63 -12.57 46.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.49 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -85.32 176.93 8.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 p -109.64 138.62 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.6 p -112.66 108.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -75.59 98.37 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.761 HG13 HG22 ' A' ' 135' ' ' VAL . 3.6 t -94.37 150.13 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.556 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -146.63 169.52 18.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.92 -117.34 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 65.57 128.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.764 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 76.92 -53.98 3.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 132' ' ' SER . 7.3 m120 -161.48 134.7 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.6 t 83.18 150.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.605 HD12 HG22 ' A' ' 4' ' ' VAL . 7.3 mt -149.95 113.57 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' CE ' ' O ' ' A' ' 138' ' ' ALA . 1.2 mtpt -119.09 159.12 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.761 HG22 HG13 ' A' ' 126' ' ' VAL . 5.8 t -143.41 112.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.61 -80.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -150.03 21.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -118.21 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -113.4 118.21 33.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 84.1 t -59.93 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.68 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.4 t -69.14 -57.23 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 9.9 t -144.69 105.25 4.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.81 159.57 13.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.24 14.62 57.14 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.736 HG13 HG12 ' A' ' 22' ' ' VAL . 1.7 t -82.19 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.8 m -47.23 112.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.2 OUTLIER -81.48 -96.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -114.49 -85.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -109.81 37.94 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.506 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -174.85 150.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.818 ' HB ' HG23 ' A' ' 67' ' ' THR . 18.5 m -88.05 179.87 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.633 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -145.91 125.97 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.553 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 89.0 m-85 -133.78 90.61 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.531 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -60.43 133.68 56.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -129.99 164.24 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 20.5 p-10 -102.92 47.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.746 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -172.9 146.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.65 ' CG2' HD21 ' A' ' 79' ' ' LEU . 72.6 t -73.2 12.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.7 HD21 HG12 ' A' ' 135' ' ' VAL . 11.5 mt 50.45 -83.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.701 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.8 mtt 79.27 136.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.426 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.34 11.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.06 1.67 7.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' LEU . 1.1 m-20 -103.71 140.88 37.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER 47.16 -173.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.27 141.72 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.83 155.38 17.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 175.281 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.715 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -38.86 -34.65 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -41.55 -50.36 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -71.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.32 -52.18 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 12' ' ' ALA . 12.1 t80 -54.3 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -47.3 -47.32 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -26.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.72 -31.22 12.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 4.5 m-80 -134.69 71.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' GLY . 12.8 p -115.98 -13.99 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -49.88 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -87.18 49.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.481 ' O ' ' CE ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -124.04 -176.96 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.813 HG22 HG13 ' A' ' 145' ' ' VAL . 7.7 t -64.86 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.71 -34.3 15.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.83 -8.65 42.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.617 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 21.4 ptp -112.07 -30.69 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 147' ' ' THR . 41.1 t -50.8 -48.21 59.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -52.7 -18.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 13.3 m-20 -101.67 152.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.06 99.25 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.932 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 25.09 -94.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.932 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -24.34 -85.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.637 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 55.9 t -35.4 -49.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -41.41 -50.7 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -65.99 -31.04 71.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.91 ' HB2' HG21 ' A' ' 44' ' ' THR . 3.4 t -57.21 -14.41 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -88.9 -38.34 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.79 ' O ' HG23 ' A' ' 41' ' ' THR . 0.8 OUTLIER -64.16 134.24 95.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -167.247 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.803 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 7.92 2.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.8 mm-40 -123.87 -8.94 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.75 HD22 ' HB1' ' A' ' 70' ' ' ALA . 9.4 mt -116.91 -11.21 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -37.84 -50.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -64.82 -42.83 94.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.922 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.19 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.91 HG21 ' HB2' ' A' ' 35' ' ' SER . 3.2 m -45.04 -57.51 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -40.43 -41.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.49 -70.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.922 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.48 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 8.6 t -43.67 -70.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 155.71 -21.95 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -42.74 -26.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -106.32 -47.28 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.848 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.73 90.43 18.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 15.09 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.9 mt-30 -119.52 10.67 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 52' ' ' ASN . 5.8 p -158.69 153.87 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.807 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -154.44 112.36 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.906 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.34 -30.94 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 43.2 t -34.62 -63.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' VAL . 63.5 m-20 -37.08 -44.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.2 m -76.71 -56.34 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 47' ' ' LEU . 3.9 mt -35.43 -38.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' THR . 44.9 t30 -91.87 52.83 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.4 m -112.66 -91.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -177.41 24.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 5.1 mt-30 -60.76 106.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.7 m-30 -111.22 -173.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.985 HG23 ' HB ' ' A' ' 151' ' ' THR . 30.8 m -151.81 89.89 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.854 HG12 ' HB2' ' A' ' 70' ' ' ALA . 6.2 t -53.23 135.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.2 m-85 -125.42 69.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.854 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.73 130.54 26.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -137.319 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.798 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 125.75 9.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.803 HG23 ' O ' ' A' ' 155' ' ' ILE . 26.7 p -67.89 174.5 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -66.37 -14.82 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.61 -21.95 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.35 -42.13 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.779 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 35.7 m-85 -72.48 -39.19 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -56.25 -42.73 77.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -44.57 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 79' ' ' LEU . 4.8 mt -40.09 151.66 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.94 140.73 25.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.1 -44.4 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.5 p -45.08 -43.29 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.94 -51.52 54.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.488 HG22 ' HD2' ' A' ' 88' ' ' LYS . 38.6 mm -57.52 -55.9 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -24.65 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 89' ' ' THR . 0.7 OUTLIER -78.53 -40.95 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD23 ' ND2' ' A' ' 90' ' ' ASN . 5.3 mt -65.6 -19.18 65.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' HG22 ' A' ' 84' ' ' ILE . 5.5 mtpt -90.68 34.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 86' ' ' GLU . 9.8 t -173.72 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.557 ' ND2' HD23 ' A' ' 87' ' ' LEU . 92.1 m-20 -39.92 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER 82.02 -7.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 p -127.09 16.22 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -151.63 -43.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.982 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -59.7 -41.37 90.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.417 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.1 -37.33 21.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 1.5 m -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.599 HD11 ' HE2' ' A' ' 160' ' ' MET . 2.3 mt -69.95 -52.61 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.982 HD21 HD12 ' A' ' 94' ' ' LEU . 1.5 mt -49.61 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' HG13 ' A' ' 102' ' ' VAL . 26.4 p -46.49 -48.34 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.754 ' CE2' ' O ' ' A' ' 160' ' ' MET . 27.1 t80 -60.7 -18.25 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 32.3 m-70 -92.71 20.97 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -159.03 127.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 118' ' ' THR . 34.8 t -106.33 158.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.827 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -102.95 95.51 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.07 96.56 0.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 123.42 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.427 ' HB ' HG13 ' A' ' 112' ' ' VAL . 10.8 m -135.24 145.8 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.596 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 51.5 p -80.42 160.37 67.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 45.88 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.32 18.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 113' ' ' VAL . 11.4 m120 -151.9 -51.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -31.31 -37.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.922 HG13 ' HA ' ' A' ' 127' ' ' THR . 52.1 t -49.01 124.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 129.83 177.83 15.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.2 m -68.35 81.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.348 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.53 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -83.23 -178.6 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.535 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.9 tt0 -135.57 117.95 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.89 ' HA ' HG22 ' A' ' 103' ' ' VAL . 14.5 p -88.88 169.11 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 104' ' ' ALA . 14.0 mt -50.09 -54.46 20.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -38.64 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 104.5 -17.02 47.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.68 143.79 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 m -76.5 129.68 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.6 p -103.93 100.35 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.2 m -69.26 92.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.645 HG13 HG22 ' A' ' 135' ' ' VAL . 18.4 t -87.15 153.83 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.922 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -151.85 177.67 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 137.66 -117.21 1.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 56.04 72.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.35 -82.97 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -166.19 51.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.94 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 7.5 mt -74.9 134.4 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.4 ' HB2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -129.95 155.43 46.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.653 ' CG1' HD21 ' A' ' 159' ' ' LEU . 6.5 t -143.39 115.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.98 -81.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 135' ' ' VAL . 3.6 t30 -146.21 19.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -117.39 -179.41 3.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.92 117.47 24.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 43.9 t -55.61 119.06 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.715 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -87.89 -46.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.458 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.4 t -155.42 103.57 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.22 160.72 13.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.41 18.97 54.19 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.813 HG13 HG22 ' A' ' 22' ' ' VAL . 1.7 t -90.54 56.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 48.4 m -44.71 133.45 5.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.575 HG22 ' SD ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -99.15 -104.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -103.75 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -132.51 42.03 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -174.14 149.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.985 ' HB ' HG23 ' A' ' 67' ' ' THR . 95.9 m -87.31 174.52 8.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.506 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -136.99 128.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.585 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 79.8 m-85 -137.47 88.22 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.487 ' O ' ' HA ' ' A' ' 140' ' ' VAL . 3.9 mtm -60.5 150.11 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.803 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -142.46 178.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.43 35.12 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.74 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -160.79 147.15 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' ' N ' ' A' ' 160' ' ' MET . 85.7 t -75.47 16.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.653 HD21 ' CG1' ' A' ' 135' ' ' VAL . 0.3 OUTLIER 47.07 -81.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.754 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.7 mtp 77.07 139.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.422 ' HD3' HG13 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.03 5.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.67 144.85 29.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 22' ' ' VAL . 1.3 mt 46.56 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.836 HG12 ' O ' ' A' ' 143' ' ' GLY . 8.6 p -141.92 175.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.511 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 82.6 151.25 9.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.582 1.176 . . . . 0.0 111.036 169.308 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.72 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.52 -46.24 4.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' SG ' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -39.88 -30.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -75.41 -73.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -53.31 -57.57 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 74.2 t80 -41.19 -63.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.59 -51.76 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.04 -46.77 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.6 -50.31 32.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -117.26 82.01 14.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.9 p -131.45 159.41 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.25 -178.1 16.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.96 21.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -84.45 -32.95 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.48 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.718 ' HB ' HG13 ' A' ' 145' ' ' VAL . 8.4 m -90.44 36.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -150.7 -61.15 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.15 -31.63 11.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.778 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.7 ptp -66.25 -10.1 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 4.4 t -68.99 -38.67 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -69.64 -5.22 23.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.527 ' CG ' HG12 ' A' ' 32' ' ' VAL . 58.5 m-20 -103.89 146.77 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 96.87 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.807 HG11 ' O ' ' A' ' 61' ' ' LEU . 7.3 p 30.55 -118.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.733 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -10.04 -71.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 63.5 t -30.69 -63.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.15 -64.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.579 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -49.84 -49.44 49.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.951 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -51.44 -30.88 21.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.045 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 8.2 m-80 -82.49 -29.01 30.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' HG23 ' A' ' 41' ' ' THR . 0.9 OUTLIER -63.67 127.73 91.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 172.796 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.0 10.83 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.735 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.51 -18.99 7.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.047 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.27 -9.44 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 37' ' ' ASN . 82.6 p -36.69 -40.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -69.4 -49.78 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.901 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.4 OUTLIER -46.67 -64.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.951 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -47.94 -61.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.33 -42.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.02 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD12 ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -60.5 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.529 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -35.0 -56.64 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.51 -20.4 3.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.39 -23.32 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -108.56 -49.59 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.891 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.79 91.28 21.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.03 15.37 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.452 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.7 mt-30 -117.98 4.92 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.891 HG12 ' HB2' ' A' ' 52' ' ' ASN . 6.3 p -153.01 150.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.592 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 8.8 p-10 -150.19 121.14 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.646 HD21 HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -125.14 4.82 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.767 ' CG2' HD12 ' A' ' 47' ' ' LEU . 6.6 t -74.19 -32.81 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -87.12 -7.58 57.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 m -101.44 -40.59 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.043 HD22 HG21 ' A' ' 102' ' ' VAL . 16.9 mt -69.23 -20.48 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 31.3 p-10 -90.4 42.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -164.15 108.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.12 147.99 21.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -67.32 102.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.1 m-30 -113.25 -176.23 2.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.98 HG23 ' HB ' ' A' ' 151' ' ' THR . 21.4 m -145.91 87.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.883 HG12 ' HB2' ' A' ' 70' ' ' ALA . 18.5 t -51.08 134.91 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.448 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.6 m-85 -124.81 63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.883 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.99 129.46 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -138.504 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.901 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.0 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 155' ' ' ILE . 77.1 p -55.47 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -79.96 -28.6 39.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.29 -10.03 59.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.48 -75.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 71.3 m-85 -47.08 -25.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.6 t -68.18 -49.33 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -46.38 -50.69 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.707 HD11 ' HB ' ' A' ' 158' ' ' VAL . 32.1 mt -59.67 150.02 68.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.0 160.76 39.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.6 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.8 p -47.72 -47.33 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -46.36 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.2 mm -63.61 -47.63 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -16.85 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.76 -46.34 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' HB3' HD13 ' A' ' 94' ' ' LEU . 6.6 mt -61.72 -20.43 63.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -86.41 12.31 10.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 t -162.2 36.37 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.56 ' ND2' HD23 ' A' ' 93' ' ' LEU . 88.0 m-20 -114.13 -91.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.9 OUTLIER 82.35 -11.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -116.45 -12.46 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -123.94 -41.54 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -66.08 -40.5 90.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 96' ' ' SER . 12.1 t -45.15 -52.2 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -49.53 -44.09 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.943 HG22 HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.0 -64.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 94' ' ' LEU . 1.5 mt -44.77 -61.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.646 HG22 HD21 ' A' ' 57' ' ' LEU . 21.8 p -51.57 -47.97 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.643 ' CE2' ' O ' ' A' ' 160' ' ' MET . 53.4 t80 -60.77 -17.6 50.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.721 ' CE1' HD11 ' A' ' 155' ' ' ILE . 15.7 m-70 -92.86 24.47 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.043 HG21 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -158.87 126.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.884 HG22 ' HA ' ' A' ' 118' ' ' THR . 3.7 t -102.71 164.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.519 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -123.67 109.71 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 157.65 -42.41 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.439 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 76.6 116.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.966 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 4.8 m -154.08 134.68 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.423 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.3 p -60.86 169.29 2.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.31 -10.31 28.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 4.0 m120 -124.99 -42.6 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.811 HG13 HG11 ' A' ' 126' ' ' VAL . 0.6 OUTLIER -38.65 -31.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.513 HG13 ' HA ' ' A' ' 127' ' ' THR . 73.7 t -47.96 137.34 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.22 -171.19 24.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 m -70.56 127.73 33.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.736 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.9 tpm_? -128.83 133.2 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.461 ' HB3' HH21 ' A' ' 116' ' ' ARG . 56.4 tt0 -75.4 118.45 18.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.884 ' HA ' HG22 ' A' ' 103' ' ' VAL . 22.8 p -77.95 161.71 27.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 1.031 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -65.1 -25.7 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 1.031 ' N ' HD23 ' A' ' 119' ' ' LEU . 27.3 tp60 -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.92 5.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -67.51 -179.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 p -115.53 149.29 38.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.1 p -123.11 127.6 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.7 m -84.84 98.15 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.811 HG11 HG13 ' A' ' 112' ' ' VAL . 10.0 t -92.59 163.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.538 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -158.54 169.99 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -169.48 140.58 6.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -129.65 -46.16 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.49 128.2 0.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.6 m120 49.8 29.8 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.608 ' C ' HD12 ' A' ' 133' ' ' LEU . 10.8 t 171.69 117.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.608 HD12 ' C ' ' A' ' 132' ' ' SER . 5.7 mp -115.22 168.93 9.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.1 OUTLIER -128.7 157.06 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.748 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -154.25 123.97 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 40.0 42.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.4 t-20 89.06 -40.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.582 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -51.54 173.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -118.64 117.33 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.02 99.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.72 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.77 -56.92 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.4 t -153.04 108.03 3.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.836 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -114.11 171.11 13.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.04 77.41 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.718 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.0 t -88.34 58.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 35.0 m -41.72 111.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.596 HG21 ' CB ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -81.39 -98.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -110.04 -89.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.7 p30 -106.54 38.53 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.506 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -176.92 152.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.98 ' HB ' HG23 ' A' ' 67' ' ' THR . 90.9 m -84.49 174.11 10.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.511 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -134.82 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.598 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 74.1 m-85 -136.35 84.99 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.68 ' HG2' HD11 ' A' ' 40' ' ' LEU . 14.1 mtm -64.32 139.24 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.721 HD11 ' CE1' ' A' ' 101' ' ' HIS . 6.1 pt -127.51 179.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.53 39.02 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -164.45 143.24 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.707 ' HB ' HD11 ' A' ' 79' ' ' LEU . 41.2 t -77.39 65.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -31.03 143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.643 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -134.27 147.86 65.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 162' ' ' PRO . 18.2 Cg_endo -75.02 130.23 13.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -75.03 59.24 5.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.974 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -141.01 78.87 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 3.0 mm? -101.72 -170.97 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG11 ' CG ' ' A' ' 109' ' ' PRO . 2.7 p -130.25 148.96 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.81 151.82 27.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -167.062 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.98 -66.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.732 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -36.47 -36.0 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -39.92 -30.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -90.31 -65.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 3.7 mm-40 -44.26 -45.86 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.756 ' CE1' ' ND2' ' A' ' 37' ' ' ASN . 63.7 t80 -53.82 -64.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -42.1 -47.56 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -40.71 -29.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -96.73 -38.86 9.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' ALA . 12.8 m-80 -126.21 84.76 61.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -33.94 4.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 p -137.23 -165.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 -174.95 49.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.903 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -96.12 46.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.0 p -127.22 -171.65 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.984 HG13 HG13 ' A' ' 145' ' ' VAL . 24.7 t -79.16 -40.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -34.01 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.47 -48.32 85.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.767 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 13.2 ptp -62.03 -12.49 19.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -65.47 -50.16 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.23 -15.05 5.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' CG ' HG12 ' A' ' 32' ' ' VAL . 70.7 m-20 -94.99 142.58 24.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.95 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.718 HG13 ' H ' ' A' ' 31' ' ' ALA . 9.0 p 31.8 -121.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.718 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.9 -70.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.632 HG12 ' CG ' ' A' ' 28' ' ' ASP . 76.5 t -30.65 -63.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.13 -57.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -59.97 -51.48 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 32' ' ' VAL . 43.0 t -41.15 -27.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 6.8 m120 -138.79 35.28 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.756 ' ND2' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -85.83 134.73 38.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 128.82 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.903 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 6.95 3.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.829 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.19 -19.13 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -107.51 -11.39 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -40.0 -36.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.669 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 10.5 t -70.61 -46.99 62.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.877 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -54.4 -56.99 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.609 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -48.75 -59.48 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.59 ' N ' HG22 ' A' ' 44' ' ' THR . . . -38.83 -39.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.42 -69.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -51.08 -62.66 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -39.49 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 151.16 -20.31 0.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.2 mt-30 -38.8 -48.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.67 52.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -132.76 121.85 17.35 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 28.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -129.42 3.92 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 47' ' ' LEU . 11.4 t -125.17 146.56 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.5 p30 -164.05 102.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 99' ' ' THR . 12.8 mt -114.13 -34.22 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.732 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.9 p -33.59 -63.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.732 ' H ' HG13 ' A' ' 58' ' ' VAL . 7.3 m-20 -40.88 -51.44 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.3 m -63.15 -60.7 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 31' ' ' ALA . 11.5 mt -33.4 -48.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.6 OUTLIER -81.13 52.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' THR . 37.3 m -118.67 -92.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.58 170.9 23.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.7 mt-30 -54.1 108.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 6.9 m-30 -113.62 -175.26 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.967 HG23 ' HB ' ' A' ' 151' ' ' THR . 26.3 m -147.16 86.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.807 HG12 ' HB2' ' A' ' 70' ' ' ALA . 12.9 t -50.82 137.72 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.9 m-85 -131.34 59.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.807 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.08 134.03 26.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -137.639 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.877 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 103.46 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.592 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 45.9 p -56.26 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 2.2 p30 -72.26 -50.22 28.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.57 41.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.709 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -79.56 -45.55 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.74 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 32.9 m-85 -82.63 -40.64 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -56.31 -31.0 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -58.07 -48.5 79.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.726 HD11 ' HB ' ' A' ' 158' ' ' VAL . 58.2 mt -62.05 149.82 85.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.12 28.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.68 -44.43 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 p -46.1 -48.33 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.574 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.89 -49.72 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.34 -37.55 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -21.24 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 4.4 tp10 -82.16 -41.55 20.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 87' ' ' LEU . 4.7 mt -63.02 -13.28 33.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.425 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 17.3 mttt -93.69 11.19 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.9 t -145.02 15.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 9.3 m-20 -116.64 -155.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.3 t 168.56 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.8 -23.56 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -92.31 -48.26 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.045 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -63.68 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.3 m -54.03 -50.56 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.5 m -48.9 -40.46 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.854 HG22 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -62.35 -58.29 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.045 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.57 -56.32 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.862 HG22 HD11 ' A' ' 119' ' ' LEU . 1.5 p -48.87 -50.35 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.783 ' CE1' HG13 ' A' ' 124' ' ' VAL . 1.2 t80 -60.67 -17.01 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.739 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.6 m-70 -91.92 25.81 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.56 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -162.6 132.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 117' ' ' GLN . 43.1 t -114.42 128.2 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.23 113.42 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 154.78 -44.2 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.527 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.4 OUTLIER 78.63 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.3 m -157.79 130.39 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 p -60.52 167.12 3.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.442 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.01 50.06 2.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -136.56 -46.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -97.35 -24.31 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.438 HG13 HG11 ' A' ' 126' ' ' VAL . 4.0 p -52.77 -21.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 110' ' ' ALA . 14.6 p -69.95 150.55 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.43 -147.42 16.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.1 m -94.28 86.36 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.372 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.551 ' CB ' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -82.75 169.61 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.782 ' O ' HG13 ' A' ' 103' ' ' VAL . 26.3 tt0 -129.6 126.65 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.862 HG23 HG22 ' A' ' 124' ' ' VAL . 58.0 p -93.39 166.22 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.862 HD11 HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -63.61 -27.66 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.526 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.7 tp60 -66.28 -26.56 67.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.62 -51.96 0.71 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.539 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -48.21 153.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -90.12 148.46 22.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -110.14 96.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 125' ' ' THR . 4.2 m -65.81 76.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 135' ' ' VAL . 26.0 t -75.09 147.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.863 ' O ' HD23 ' A' ' 133' ' ' LEU . 46.2 m -146.5 176.77 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.567 ' H ' HG22 ' A' ' 127' ' ' THR . . . 131.94 -108.94 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.6 tt0 87.08 -46.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -93.93 -136.78 8.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -87.71 57.88 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.1 157.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 127' ' ' THR . 6.9 mt -149.76 139.96 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.549 ' O ' HG23 ' A' ' 135' ' ' VAL . 3.7 mttm -130.42 165.94 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -163.84 115.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.36 40.47 30.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 86.68 -22.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -72.14 169.89 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.5 m-20 -118.51 121.29 39.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 133' ' ' LEU . 95.0 t -60.62 87.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.732 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.5 t -55.16 -56.62 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 145' ' ' VAL . 36.2 t -148.62 103.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 108.332 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.76 167.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.01 24.58 63.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.984 HG13 HG13 ' A' ' 22' ' ' VAL . 4.3 t -98.51 51.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.5 m -36.84 115.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.747 HG23 HG21 ' A' ' 152' ' ' VAL . 1.2 p -79.79 -100.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -103.27 -78.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -122.72 44.2 2.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.14 135.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.967 ' HB ' HG23 ' A' ' 67' ' ' THR . 6.8 m -63.16 175.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.747 HG21 HG23 ' A' ' 147' ' ' THR . 2.1 t -139.85 124.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.562 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 89.9 m-85 -137.13 88.32 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.65 ' HG2' HD11 ' A' ' 40' ' ' LEU . 16.2 mtm -70.61 114.47 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.735 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.2 pp -105.76 173.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 156' ' ' ASP . 34.6 p-10 -115.52 51.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 157' ' ' SER . . . . . 0.744 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.4 m -170.58 132.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.726 ' HB ' HD11 ' A' ' 79' ' ' LEU . 72.3 t -74.02 70.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.781 HD11 ' CG1' ' A' ' 135' ' ' VAL . 34.2 mt -34.58 125.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 158' ' ' VAL . 2.9 mtp -122.05 140.52 32.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 161' ' ' PRO . . . . . 0.556 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.32 11.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 162' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.03 150.21 37.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.679 HG21 ' CB ' ' A' ' 109' ' ' PRO . 16.6 m -124.18 142.44 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.22 154.4 11.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.2 Cg_endo -75.03 -57.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.718 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -47.76 -46.64 24.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.39 -30.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -68.23 -73.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 2.3 mm-40 -54.14 -45.61 72.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 43.9 t80 -35.87 -65.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.92 -53.31 10.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.41 -39.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.09 -48.28 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -126.83 79.29 72.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.99 -31.86 5.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.422 ' C ' ' OG ' ' A' ' 21' ' ' SER . 71.9 p -137.02 176.3 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.17 -173.04 20.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HB2' ' CG ' ' A' ' 36' ' ' ASN . 18.4 Cg_endo -75.01 -18.64 18.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.858 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -90.05 23.34 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.488 ' O ' ' HE3' ' A' ' 25' ' ' MET . 0.7 OUTLIER -106.82 171.93 7.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HB ' HG13 ' A' ' 145' ' ' VAL . 2.8 m -68.65 -31.53 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -87.34 -39.48 15.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.9 73.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.488 ' HE3' ' O ' ' A' ' 21' ' ' SER . 22.5 ptp -66.52 -10.19 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.452 ' HA ' ' C ' ' A' ' 147' ' ' THR . 5.3 t -75.49 -53.53 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.64 -16.93 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -111.19 160.39 29.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.96 154.27 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 3.1 p -30.7 -44.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -55.98 -97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.9 t -38.78 -33.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.556 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -54.05 -50.73 66.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.33 -8.66 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.742 ' OG ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.7 26.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 31.3 m-80 -136.49 -39.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 1.054 ' O ' HG23 ' A' ' 41' ' ' THR . 0.2 OUTLIER -45.08 129.58 5.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 172.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.858 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 6.1 3.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -123.64 -2.18 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.705 HD22 ' HB1' ' A' ' 70' ' ' ALA . 22.8 mt -114.02 -33.23 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.054 HG23 ' O ' ' A' ' 37' ' ' ASN . 23.2 p -34.58 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.59 -55.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.907 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.18 -52.75 64.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.742 HG21 ' OG ' ' A' ' 35' ' ' SER . 60.3 m -47.7 -56.72 6.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.48 -38.36 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.09 -71.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.907 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.76 -61.95 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.841 ' HA ' HG23 ' A' ' 58' ' ' VAL . 11.4 p -43.41 -63.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 147.61 -24.36 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.95 -44.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -51.93 9.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.643 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -116.11 110.28 43.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 17.54 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.27 8.6 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 56' ' ' ASN . 2.2 t -132.2 160.17 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 4.7 p30 -169.73 110.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.09 8.48 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.841 HG23 ' HA ' ' A' ' 48' ' ' SER . 3.5 t -66.84 -39.63 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.91 -45.53 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . 20.3 m -64.31 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD22 HG11 ' A' ' 102' ' ' VAL . 5.0 mt -38.99 -43.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -85.46 52.52 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 t -163.16 110.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 82.01 140.07 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.7 mt-30 -50.46 109.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 0.725 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 5.8 m-30 -112.97 -175.53 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 151' ' ' THR . 86.8 m -152.16 87.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.788 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.4 t -51.79 140.07 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.574 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.7 m-85 -131.25 67.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.788 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.7 130.1 29.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -138.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.877 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 108.68 2.77 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 155' ' ' ILE . 54.9 p -53.5 175.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.0 -11.95 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.69 -19.1 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.717 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 55.8 m-85 -63.17 -47.74 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -44.42 -54.57 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.951 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 4.6 mtmp? -40.37 -46.39 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 158' ' ' VAL . 12.0 mt -61.5 149.21 84.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.415 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.97 155.64 43.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.64 -53.3 56.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 p -39.68 -44.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.77 -51.37 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 110.417 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.14 -51.08 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -21.04 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' O ' HG22 ' A' ' 89' ' ' THR . 8.0 tp10 -81.74 -44.49 16.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.525 HD23 ' ND2' ' A' ' 90' ' ' ASN . 5.9 mt -66.19 -8.71 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -90.57 25.06 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.5 t -160.87 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.525 ' ND2' HD23 ' A' ' 87' ' ' LEU . 6.3 m-20 -55.79 168.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 p -159.48 26.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.86 -44.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -80.95 -26.96 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.938 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.74 -46.59 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.44 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.6 t -55.13 -45.68 75.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.44 ' C ' ' HG3' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -50.35 -39.72 47.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.935 HG22 HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.14 -57.41 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.938 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.93 -61.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.896 HG22 HD11 ' A' ' 119' ' ' LEU . 2.6 p -46.22 -48.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.1 t80 -61.43 -21.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.692 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.4 m-70 -89.42 24.39 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.94 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.3 t -153.32 149.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.999 HG13 ' O ' ' A' ' 117' ' ' GLN . 92.6 t -134.17 131.16 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.08 109.71 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 161.8 -49.2 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.572 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.5 OUTLIER 77.58 120.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.0 m -157.26 128.4 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -52.88 165.77 0.54 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.679 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.1 Cg_endo -75.05 52.42 3.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 -45.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 113' ' ' VAL . 5.4 m-20 -98.67 -29.97 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -40.8 -29.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.1 p -60.37 143.83 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.95 178.5 23.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.4 m -71.48 101.79 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -99.8 -170.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.999 ' O ' HG13 ' A' ' 103' ' ' VAL . 15.5 tt0 -129.85 131.4 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.473 ' HA ' HG22 ' A' ' 103' ' ' VAL . 71.7 p -97.21 145.34 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.94 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -39.69 -30.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.445 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -55.51 -59.6 4.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.3 -24.62 1.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.16 174.36 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.3 m -100.4 142.64 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.5 p -112.88 104.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -68.59 96.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.74 HG13 ' CG2' ' A' ' 135' ' ' VAL . 17.5 t -91.54 153.39 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.701 ' HA ' HG23 ' A' ' 113' ' ' VAL . 20.9 m -146.58 175.79 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 127' ' ' THR . 6.1 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 135' ' ' VAL . 6.8 mtpt -123.31 164.4 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.867 HG12 HD11 ' A' ' 159' ' ' LEU . 2.2 t -156.28 121.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 50.16 38.84 33.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.3 t-20 84.25 -14.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.682 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -74.87 -178.79 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 6.5 m-20 -124.87 109.38 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 154' ' ' MET . 46.6 t -55.5 98.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.718 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.9 t -63.06 -60.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.69 106.19 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.0 161.97 12.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.04 24.46 44.59 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.613 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.4 t -96.21 65.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 13.1 m -53.7 127.65 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.556 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 7.2 p -87.63 -105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -109.2 -44.24 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.456 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -150.98 38.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.544 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -172.13 141.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.951 ' HB ' HG23 ' A' ' 67' ' ' THR . 26.2 m -83.07 170.91 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -136.03 131.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.6 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 88.6 m-85 -140.51 87.42 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -64.22 146.88 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -135.78 -179.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -121.33 36.97 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.411 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -159.48 134.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 158' ' ' VAL . 70.7 t -75.17 72.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.867 HD11 HG12 ' A' ' 135' ' ' VAL . 22.9 mt -33.24 148.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.724 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.9 mtp -139.61 144.37 39.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.44 ' HG3' ' C ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.37 141.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.21 160.3 11.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.534 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -49.31 -30.72 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.5 -28.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.73 -70.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 9.6 mm-40 -43.78 -47.85 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' ALA . 71.5 t80 -43.44 -63.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.06 -52.62 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -44.67 -35.31 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.95 -42.63 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -130.72 78.25 74.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -30.68 6.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.7 p -129.5 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.21 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.37 20.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.905 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.53 14.71 14.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.496 ' O ' ' HE3' ' A' ' 25' ' ' MET . 61.2 p -93.06 165.47 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.594 HG12 HG13 ' A' ' 145' ' ' VAL . 18.9 m -62.83 -31.04 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -98.26 -48.59 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -52.06 -21.81 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.682 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.2 ptp -91.68 -17.09 26.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -61.66 -36.56 81.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.84 -12.35 61.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 m-20 -97.85 144.13 27.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.754 HG13 ' H ' ' A' ' 31' ' ' ALA . 3.3 p 28.65 -109.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.754 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -11.45 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 78.9 t -40.81 -66.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.89 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -64.91 -58.39 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.911 ' O ' HG22 ' A' ' 41' ' ' THR . 7.5 t -44.65 -26.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' ALA . 16.6 m120 -80.11 -49.34 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 1.029 ' O ' HG23 ' A' ' 41' ' ' THR . 5.0 t-20 -52.72 130.38 46.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.905 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 3.48 5.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.5 mm-40 -121.39 -3.84 9.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.589 HD22 ' HB1' ' A' ' 70' ' ' ALA . 17.1 mt -116.64 -32.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.029 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.2 p -32.64 -39.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.7 m -63.37 -58.41 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.941 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.12 -43.2 87.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.777 HG21 ' CB ' ' A' ' 35' ' ' SER . 90.4 m -48.45 -58.7 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -40.16 -35.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.29 -71.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.9 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.32 -62.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.256 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.992 ' HA ' HG23 ' A' ' 58' ' ' VAL . 23.6 p -43.56 -53.11 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.591 ' HA2' HG23 ' A' ' 55' ' ' VAL . . . 132.91 -21.18 4.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLY . 21.7 mt-30 -37.79 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -82.32 -53.06 6.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.654 ' HB3' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -119.1 129.42 25.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.79 -5.34 10.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.796 HG11 HD21 ' A' ' 94' ' ' LEU . 5.5 m -111.66 137.6 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 48' ' ' SER . 8.1 p30 -159.61 119.23 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 17.5 mt -128.17 14.08 6.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.992 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.5 t -67.74 -59.14 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 -39.2 89.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 m -64.12 -69.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.701 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.6 mt -37.98 -38.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 9.8 t-20 -85.89 51.04 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.519 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -166.26 109.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 152.9 26.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -69.64 108.59 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.2 m-30 -113.8 -173.25 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 1.016 HG23 ' HB ' ' A' ' 151' ' ' THR . 35.9 m -151.54 87.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 70' ' ' ALA . 58.9 t -51.53 134.7 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.586 ' O ' HD11 ' A' ' 155' ' ' ILE . 10.0 m-85 -125.43 67.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.766 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.1 127.24 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -139.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.941 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.5 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 155' ' ' ILE . 35.9 p -62.57 -179.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.457 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 1.1 m-80 -66.77 -38.14 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.45 -9.47 58.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -80.17 -47.98 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 53.5 m-85 -77.97 -45.94 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -48.43 -23.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 5.5 mtmt -63.37 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 158' ' ' VAL . 22.6 mt -79.68 147.95 68.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -75.03 140.0 24.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.45 -30.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' PRO . 48.0 p -56.76 -55.29 36.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.48 -45.77 84.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 86' ' ' GLU . 29.2 mm -62.19 -56.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.57 -26.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 89' ' ' THR . 5.1 tp10 -78.7 -50.31 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.7 mt -54.96 -19.31 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.483 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 15.0 mttt -86.46 7.03 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.548 ' N ' HD21 ' A' ' 52' ' ' ASN . 1.8 t -141.66 10.17 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.602 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -118.82 153.73 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -144.91 23.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.35 -45.62 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -79.6 -30.38 41.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.104 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.36 -43.04 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 99' ' ' THR . 0.6 OUTLIER -54.14 -43.82 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.582 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.3 m -53.57 -39.59 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 98' ' ' LEU . 2.4 mt -65.42 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.104 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -44.67 -62.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.6 p -43.59 -51.54 6.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CD1' HG21 ' A' ' 118' ' ' THR . 1.2 t80 -56.99 -22.47 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.747 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 47.8 m-70 -90.62 24.32 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -162.58 111.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 117' ' ' GLN . 54.3 t -94.7 149.6 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.722 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -91.41 96.92 10.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.44 106.16 0.71 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 132.25 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.409 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 17.5 m -150.88 133.9 15.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.21 165.4 28.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.92 50.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.83 -46.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.7 m-20 -96.27 -28.5 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.778 HG13 HG11 ' A' ' 126' ' ' VAL . 0.5 OUTLIER -46.3 -25.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 127' ' ' THR . 85.7 t -62.2 133.31 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.21 -174.91 15.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 123' ' ' SER . 95.2 m -73.6 104.3 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.5 tpm_? -105.52 147.07 28.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.864 ' O ' HG13 ' A' ' 103' ' ' VAL . 10.2 tt0 -94.25 127.28 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.805 ' CG2' HG22 ' A' ' 124' ' ' VAL . 9.4 p -101.27 165.99 11.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 104' ' ' ALA . 21.0 mt -48.89 -54.04 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.575 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 16.0 tp60 -49.26 -31.93 9.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.29 -41.12 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.527 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -50.52 150.72 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.559 ' HB2' HG23 ' A' ' 115' ' ' THR . 17.6 p -86.93 158.92 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.805 HG22 ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -124.37 102.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.4 m -69.8 73.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.778 HG11 HG13 ' A' ' 112' ' ' VAL . 3.2 t -72.32 145.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.58 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -156.47 -174.96 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.714 ' HA3' HD22 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.714 HD22 ' HA3' ' A' ' 128' ' ' GLY . 4.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.6 mttt -134.88 154.38 51.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.723 HG22 HG22 ' A' ' 126' ' ' VAL . 1.8 t -149.11 122.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 42.87 45.64 5.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.7 t-20 88.05 -39.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.829 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -51.97 171.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.4 m-20 -120.7 116.95 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 133' ' ' LEU . 77.4 t -58.26 113.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 72' ' ' THR . 2.3 t -85.99 -47.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 27.4 t -160.48 106.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.43 176.14 18.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.57 20.19 79.41 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.594 HG13 HG12 ' A' ' 22' ' ' VAL . 1.5 t -87.93 52.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.4 m -43.33 128.67 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.57 HG21 ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -96.98 -99.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -104.94 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -127.86 37.87 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -168.5 138.89 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 1.016 ' HB ' HG23 ' A' ' 67' ' ' THR . 30.7 m -78.11 174.23 11.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.554 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -138.99 129.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.9 m-85 -137.69 89.59 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.563 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.44 142.06 57.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.829 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.4 OUTLIER -134.56 -178.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.47 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 1.7 p-10 -118.38 39.21 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -171.38 136.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.895 ' O ' HG23 ' A' ' 158' ' ' VAL . 1.5 m -78.59 71.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.687 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -22.52 135.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.36 140.67 38.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.582 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.05 121.56 6.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.527 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.616 HG11 ' CB ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -117.94 172.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.452 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 72.05 155.29 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -163.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -63.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.487 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.26 -36.87 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.7 -40.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.91 -73.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 30.6 mt-10 -40.75 -43.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CE1' ' ND2' ' A' ' 15' ' ' ASN . 45.0 t80 -49.08 -64.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.62 -49.88 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.27 -46.9 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -77.43 -53.53 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 11' ' ' TYR . 2.3 m-80 -118.12 81.76 16.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.06 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -111.78 -153.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.7 43.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 18.2 Cg_endo -75.04 -8.0 19.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.852 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -82.54 -22.32 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 p -59.07 168.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.978 HG13 HG13 ' A' ' 145' ' ' VAL . 42.6 t -67.18 -29.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.1 -46.33 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 19' ' ' PRO . . . -47.93 -46.3 25.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.606 ' SD ' HG12 ' A' ' 145' ' ' VAL . 10.4 ptp -70.56 -11.62 61.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 147' ' ' THR . 7.0 m -76.68 -26.52 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.22 -16.1 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.66 165.96 12.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 150.92 38.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.8 p -30.51 -48.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.708 ' HB1' HG13 ' A' ' 58' ' ' VAL . . . -50.29 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' SER . 21.9 t -35.81 -44.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.32 -54.35 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -70.45 -22.88 62.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.77 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.77 20.72 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -126.05 -41.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.822 ' O ' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -55.41 130.77 70.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 174.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 3.47 5.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.773 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -117.44 -9.82 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.722 HD21 ' HG3' ' A' ' 154' ' ' MET . 63.4 mt -105.7 -29.05 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.47 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -69.14 -55.03 11.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.852 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.68 -52.52 60.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.77 HG21 ' CB ' ' A' ' 35' ' ' SER . 85.5 m -46.44 -57.01 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.96 -39.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.84 -69.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.812 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.98 -63.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.666 ' HA ' HG23 ' A' ' 58' ' ' VAL . 96.5 p -42.39 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.51 -20.79 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 6.5 mt-30 -43.59 -25.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -109.08 -44.09 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.874 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.36 92.48 23.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 26.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -130.66 4.61 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.874 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.6 p -150.98 153.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 7.8 p30 -152.92 108.09 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 12.91 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.708 HG13 ' HB1' ' A' ' 31' ' ' ALA . 4.7 t -78.7 -27.64 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -83.44 -19.56 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.2 m -94.94 -62.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 102' ' ' VAL . 3.1 mt -37.64 -43.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -80.41 53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.08 110.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 86.8 138.02 5.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -50.77 105.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.589 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.3 m-30 -112.71 -174.63 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.973 HG23 ' HB ' ' A' ' 151' ' ' THR . 80.8 m -153.14 89.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.839 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.6 t -53.03 142.86 5.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.1 m-85 -133.61 73.68 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.839 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -108.27 125.43 31.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -136.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.861 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 125.7 9.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 37.9 p -67.03 -173.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 2.8 m120 -77.33 -2.18 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -106.46 -20.9 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -72.58 -37.01 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.861 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 39.2 m-85 -82.93 -24.68 32.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -24.08 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.1 mtmp? -70.69 -10.2 58.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.013 HD12 HD11 ' A' ' 84' ' ' ILE . 11.4 mt -75.31 163.35 68.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 80' ' ' PRO . . . 72.27 -59.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.13 -47.5 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.445 ' CG2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -51.52 -41.78 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.013 HD11 HD12 ' A' ' 79' ' ' LEU . 18.6 mm -63.18 -47.09 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.41 -16.47 9.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -90.47 -44.34 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 7.2 mt -55.75 -19.02 9.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 89' ' ' THR . 6.1 mtmt -84.2 7.81 17.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 88' ' ' LYS . 3.2 p -159.92 44.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.425 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.9 m-20 -122.63 -79.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 73.95 9.27 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -135.92 -44.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -89.46 -20.89 23.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.019 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -88.67 -44.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 t -47.17 -41.01 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.48 -42.61 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.659 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -64.41 -54.75 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.019 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.86 -59.77 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.671 HG22 HD11 ' A' ' 119' ' ' LEU . 12.8 p -50.6 -51.3 49.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.698 ' CE2' ' O ' ' A' ' 160' ' ' MET . 17.0 t80 -59.03 -18.01 30.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.672 ' NE2' ' O ' ' A' ' 158' ' ' VAL . 41.5 m-70 -90.27 24.0 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.977 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.7 t -153.25 145.81 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 117' ' ' GLN . 96.1 t -129.34 143.45 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.09 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.73 95.73 1.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.3 tt0 -53.4 127.25 24.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.452 ' HB ' HG13 ' A' ' 112' ' ' VAL . 23.5 m -139.59 138.36 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.0 p -74.04 163.99 64.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.98 45.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.59 19.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.525 ' O ' ' C ' ' A' ' 112' ' ' VAL . 34.0 m-20 -152.51 -51.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.35 -43.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.881 HG23 ' HA ' ' A' ' 127' ' ' THR . 2.4 p -40.91 127.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.19 170.7 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.9 m -65.94 81.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.536 ' HB2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -79.65 -175.6 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.647 ' O ' HG13 ' A' ' 103' ' ' VAL . 9.3 tt0 -137.02 118.68 14.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 102' ' ' VAL . 47.2 p -81.93 158.64 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.977 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -55.25 -25.31 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 10.9 tp60 -61.34 -38.67 87.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.64 -32.51 3.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.47 158.41 36.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.5 p -111.5 99.7 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.0 m -67.47 100.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.694 HG22 HG22 ' A' ' 135' ' ' VAL . 41.5 t -94.45 150.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.881 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -156.5 -175.95 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.429 ' CA ' ' HA ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.794 HD23 ' N ' ' A' ' 133' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 135' ' ' VAL . 4.7 mttt -134.41 155.48 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.092 HG12 HD21 ' A' ' 159' ' ' LEU . 1.9 t -152.98 128.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 39.27 42.15 1.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.587 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 8.4 t30 89.1 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.815 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -51.45 175.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.441 ' C ' HG22 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -124.19 120.26 31.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.733 HG21 ' HB2' ' A' ' 133' ' ' LEU . 73.8 t -55.98 137.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 154' ' ' MET . 3.4 t -115.99 -56.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.6 96.33 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.29 166.79 12.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.04 72.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.978 HG13 HG13 ' A' ' 22' ' ' VAL . 1.3 t -83.18 58.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 73.7 m -53.14 124.77 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 14.3 p -87.04 -108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.34 -47.31 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -152.4 40.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.61 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -171.31 133.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.973 ' HB ' HG23 ' A' ' 67' ' ' THR . 32.3 m -76.59 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.639 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -142.98 129.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -133.21 93.17 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.722 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -68.71 114.35 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 1.0 HD13 ' O ' ' A' ' 157' ' ' SER . 1.2 pp -109.06 166.94 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 15.4 p-10 -98.87 44.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 1.0 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.3 m -172.17 141.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.672 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -73.72 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.092 HD21 HG12 ' A' ' 135' ' ' VAL . 61.0 mt 47.97 -88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.698 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER 87.53 137.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 123.24 7.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.589 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.657 HG11 ' CG ' ' A' ' 109' ' ' PRO . 7.8 p -119.5 158.56 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 157.3 33.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.449 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -48.26 -42.3 24.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -32.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.26 -75.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -49.43 -51.76 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' O ' ' A' ' 20' ' ' ALA . 75.8 t80 -37.24 -65.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.75 -44.96 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -52.21 -43.39 64.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.65 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.89 79.28 32.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -62.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.7 p -121.09 110.09 15.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.71 -169.29 39.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -20.98 16.26 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.777 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -98.21 28.68 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 25' ' ' MET . 88.3 p -100.91 166.55 10.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.686 HG12 HG13 ' A' ' 145' ' ' VAL . 6.4 m -66.89 -12.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' SER . 37.2 tp60 -107.72 -58.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.94 -42.14 7.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.721 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.9 ptp -70.18 -25.31 63.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' GLN . 3.1 t -54.96 -55.57 29.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -51.97 -18.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.669 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -93.17 144.09 27.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 100.53 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.782 HG11 ' O ' ' A' ' 61' ' ' LEU . 4.3 p 27.58 -111.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.772 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -16.46 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.669 HG12 ' HB3' ' A' ' 28' ' ' ASP . 45.5 t -33.44 -51.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -47.21 -55.15 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -63.4 -12.35 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.711 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -84.26 16.32 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.426 ' OD1' ' OD2' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -134.42 -39.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.87 ' O ' HG23 ' A' ' 41' ' ' THR . 20.2 m-80 -49.42 129.97 18.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 171.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.777 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.0 4.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.616 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.51 -5.15 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.699 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 11.0 mt -117.09 -33.83 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.1 p -36.15 -36.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -67.37 -54.68 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.884 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -57.73 -47.73 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.711 HG21 ' CB ' ' A' ' 35' ' ' SER . 17.7 m -49.33 -61.14 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.14 -38.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.92 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.776 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.78 -60.53 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 p -40.68 -67.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.31 -22.41 0.57 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.555 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 1.3 mm-40 -40.52 -57.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 tp -62.72 -49.99 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -128.91 113.98 18.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 11.61 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.506 1.792 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.8 mt-30 -116.2 7.97 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.827 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.4 t -128.92 153.64 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 2.6 p30 -165.68 113.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 60' ' ' THR . 10.1 mt -121.67 -38.01 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.1 p -32.73 -65.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.727 ' H ' HG13 ' A' ' 58' ' ' VAL . 6.0 t0 -39.3 -46.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.0 m -70.28 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.782 ' O ' HG11 ' A' ' 30' ' ' VAL . 4.6 mt -39.05 -30.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 6.5 t-20 -90.76 53.65 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -175.78 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 99.42 131.62 7.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.8 mt-30 -50.76 106.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.553 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 9.7 m-30 -113.94 -172.72 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.988 HG23 ' HB ' ' A' ' 151' ' ' THR . 46.7 m -153.42 86.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.796 HG12 ' HB2' ' A' ' 70' ' ' ALA . 58.9 t -51.52 135.56 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -125.1 67.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.796 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.29 129.94 33.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -139.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.884 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.5 Cg_endo -74.94 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 155' ' ' ILE . 67.1 p -56.15 169.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -32.41 73.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.98 -19.65 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -75.08 -47.41 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.716 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 37.5 m-85 -67.81 -50.58 56.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -41.61 -53.76 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.0 mtmp? -37.94 -51.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' HB ' ' A' ' 158' ' ' VAL . 6.7 mt -58.26 146.66 70.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.417 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.99 138.69 23.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.22 -44.85 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -43.38 -47.27 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.81 -58.8 6.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 mm -48.82 -61.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.508 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -46.7 -39.83 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' A' ' 89' ' ' THR . 0.8 OUTLIER -62.32 -45.11 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.627 HD23 ' ND2' ' A' ' 90' ' ' ASN . 8.7 mt -53.45 -49.41 67.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CD ' ' HA ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -57.94 -9.87 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 86' ' ' GLU . 11.3 t -138.56 38.21 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.627 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.9 m-20 -119.59 -68.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER 69.95 -59.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 m -90.17 42.35 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -164.1 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.827 ' CD2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.86 -40.63 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.7 t -49.85 -44.46 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -52.82 -39.01 62.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.521 HG22 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -68.1 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -43.88 -62.5 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.524 HG23 HD11 ' A' ' 57' ' ' LEU . 12.6 p -48.33 -46.11 36.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.668 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.8 t80 -65.93 -12.3 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 14.1 m-70 -96.97 21.54 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.615 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -155.2 132.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 118' ' ' THR . 24.6 t -109.78 158.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -104.61 98.8 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.95 97.25 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.2 OUTLIER -57.6 125.83 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.424 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 21.7 m -146.5 128.49 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -59.43 165.67 3.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.657 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 50.93 2.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.88 -45.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.9 m120 -99.37 -27.96 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -21.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 127' ' ' THR . 95.3 t -74.22 137.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 -105.25 1.08 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.3 m -135.55 138.87 43.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -136.89 171.52 14.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -124.05 103.45 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.54 ' HA ' HG22 ' A' ' 103' ' ' VAL . 68.6 p -62.11 140.71 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.615 HD23 HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.73 -31.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -54.47 -57.9 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.29 -24.11 1.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -80.21 158.85 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.2 m -93.14 138.1 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 116' ' ' ARG . 3.1 p -108.89 115.31 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -79.41 106.72 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 135' ' ' VAL . 28.1 t -97.85 160.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.618 ' HA ' HG13 ' A' ' 113' ' ' VAL . 13.7 m -154.98 174.89 14.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.508 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.625 ' HB2' HG21 ' A' ' 140' ' ' VAL . 4.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 5.0 mtpt -133.2 151.26 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 126' ' ' VAL . 2.1 t -151.11 120.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.36 44.82 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.581 1.176 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t-20 87.43 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.738 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -54.2 173.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.35 113.76 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' A' ' 133' ' ' LEU . 75.6 t -55.46 126.71 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.62 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -99.88 -50.39 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 10.1 t -153.42 104.14 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.51 168.86 12.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.2 70.87 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.686 HG13 HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -88.33 58.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.7 m -50.06 118.88 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.721 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.3 p -86.13 -100.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -98.91 -76.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -127.42 35.0 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.569 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -163.56 136.53 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.988 ' HB ' HG23 ' A' ' 67' ' ' THR . 21.3 m -74.12 175.84 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.547 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -142.71 127.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.499 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -135.29 93.75 3.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.477 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.45 142.26 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 72' ' ' THR . 0.6 OUTLIER -135.0 166.83 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 8.5 p-10 -109.61 47.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.8 OUTLIER -170.87 140.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 158' ' ' VAL . 42.3 t -79.03 71.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.631 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -34.02 135.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.668 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.9 mtt -132.02 150.04 74.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.44 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.92 138.84 23.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.579 HD11 HG11 ' A' ' 22' ' ' VAL . 2.5 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 133' ' ' LEU . 7.3 p -141.42 163.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 90.64 152.02 27.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' C ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.98 -66.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.52 -26.69 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -39.74 -58.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -58.04 -71.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.1 mp0 -36.59 -50.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 89.4 t80 -64.72 -53.73 42.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.54 -29.9 7.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -81.12 -41.6 22.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.89 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 38.3 m-80 -122.11 76.25 41.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLY . 14.7 p -114.03 -19.85 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.62 172.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.63 20.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.89 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -95.22 -7.74 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.591 ' O ' ' HE3' ' A' ' 25' ' ' MET . 15.7 m -59.36 -165.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG22 HG13 ' A' ' 145' ' ' VAL . 16.2 t -83.23 -40.83 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.59 -36.15 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -46.38 92.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.79 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.3 ptp -63.16 -13.6 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 28' ' ' ASP . 7.4 t -63.61 -56.79 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -46.86 -22.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.649 ' CG ' HG12 ' A' ' 32' ' ' VAL . 73.6 m-20 -92.37 141.4 24.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 99.59 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.735 HG11 ' O ' ' A' ' 61' ' ' LEU . 9.6 p 31.45 -121.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.725 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.88 -70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.649 HG12 ' CG ' ' A' ' 28' ' ' ASP . 69.3 t -31.45 -62.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.79 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.05 -73.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.686 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -47.42 -42.03 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 1.059 ' N ' HG21 ' A' ' 44' ' ' THR . 1.8 t -56.75 -15.22 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.2 m-80 -111.14 -27.01 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.69 ' O ' HG23 ' A' ' 41' ' ' THR . 2.7 m120 -51.24 121.81 17.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 163.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 10.1 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.698 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.8 mt-10 -120.81 -19.22 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.07 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -105.37 -14.79 15.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -37.94 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.8 m -73.83 -54.4 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.945 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -52.92 -56.08 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 1.059 HG21 ' N ' ' A' ' 35' ' ' SER . 73.3 p -50.36 -55.05 17.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.43 -36.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.682 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -68.71 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.879 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -47.82 -60.08 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.623 ' HA ' HG12 ' A' ' 58' ' ' VAL . 1.4 t -42.16 -66.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.91 -22.78 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.659 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 28.2 mt-30 -37.92 -59.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -56.37 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -133.9 126.04 18.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 6.92 3.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.93 3.78 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 13.8 t -123.11 147.55 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.6 p30 -164.72 109.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -124.36 -43.96 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.763 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -16.79 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.763 ' N ' HG22 ' A' ' 58' ' ' VAL . 5.6 m-20 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.671 ' N ' ' O ' ' A' ' 57' ' ' LEU . 87.2 m -55.5 -44.32 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.735 ' O ' HG11 ' A' ' 30' ' ' VAL . 3.6 mt -54.22 -31.53 53.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -86.43 6.9 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 60' ' ' THR . 29.1 t -56.46 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.73 -178.16 20.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -50.86 107.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.3 m-30 -112.96 -170.17 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.99 HG23 ' HB ' ' A' ' 151' ' ' THR . 32.7 m -152.88 87.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 70' ' ' ALA . 39.6 t -51.44 139.66 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.697 ' CD2' HG23 ' A' ' 103' ' ' VAL . 11.6 m-85 -133.69 66.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.75 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.85 129.07 28.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -138.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.945 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.609 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 38.2 p -61.08 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.502 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 24.5 m120 -72.1 -47.26 52.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.67 -11.11 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -82.7 -52.32 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -79.48 -32.69 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -63.39 -24.48 67.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -65.65 -45.76 81.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 83' ' ' THR . 57.9 mt -68.71 149.0 98.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.05 158.95 41.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.38 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -50.76 -41.74 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.661 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -64.73 -47.68 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.17 -49.37 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.52 -19.68 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 2.2 tp10 -82.75 -46.9 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.535 ' O ' HD22 ' A' ' 94' ' ' LEU . 7.2 mt -59.54 -18.38 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.757 ' O ' HG23 ' A' ' 89' ' ' THR . 4.5 mtmp? -89.51 16.98 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.45 30.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 86' ' ' GLU . 92.4 m-20 -116.63 -73.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.419 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.2 t 67.37 8.97 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -134.66 -45.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -88.06 -22.96 23.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.088 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.83 -44.67 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 50.6 m -52.55 -46.1 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.6 -39.92 62.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.584 HG22 HD23 ' A' ' 98' ' ' LEU . 1.6 mt -64.59 -57.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.088 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -46.88 -61.08 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 1.2 p -47.97 -44.26 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.3 t80 -68.49 -10.99 59.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.689 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.2 m-70 -98.55 16.42 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.8 129.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.985 HG13 ' O ' ' A' ' 117' ' ' GLN . 45.4 t -108.81 146.72 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.92 106.07 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.1 97.53 0.92 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -48.92 145.52 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 m -160.31 151.34 19.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 2.8 p -86.04 165.88 31.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 3.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.95 -8.57 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' VAL . 12.2 m120 -123.15 -41.53 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.692 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -40.66 -33.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.829 HG23 ' HA ' ' A' ' 127' ' ' THR . 3.0 p -53.75 124.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.15 172.1 13.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 m -66.47 106.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.577 ' HD2' HG11 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -103.54 -175.39 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.985 ' O ' HG13 ' A' ' 103' ' ' VAL . 26.0 tt0 -136.2 115.88 12.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 103' ' ' VAL . 74.2 p -75.4 147.7 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -44.87 -28.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -56.78 -55.22 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.18 -26.18 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.542 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.63 173.15 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -105.2 135.02 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.541 HG13 ' HB2' ' A' ' 116' ' ' ARG . 3.5 p -107.02 97.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 m -65.45 100.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.761 HG13 HG22 ' A' ' 135' ' ' VAL . 2.5 t -93.29 152.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.829 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -160.61 168.38 25.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.787 HD23 ' N ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.512 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.4 mtpt -135.24 156.16 49.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.761 HG22 HG13 ' A' ' 126' ' ' VAL . 2.1 t -148.74 107.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.58 -48.1 0.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.512 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.8 OUTLIER -176.86 -33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -63.37 168.08 4.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.44 118.14 35.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.552 ' CB ' ' HB2' ' A' ' 133' ' ' LEU . 74.4 t -55.04 105.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.638 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.3 t -70.91 -50.14 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 39.0 t -160.8 109.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 108.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.44 174.98 16.6 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.96 78.63 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.75 HG13 HG22 ' A' ' 22' ' ' VAL . 1.7 t -92.92 50.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 54.9 m -39.03 123.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.665 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.2 p -89.61 -104.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -100.22 -71.2 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -130.51 45.04 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -176.72 135.36 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.99 ' HB ' HG23 ' A' ' 67' ' ' THR . 53.8 m -68.74 171.79 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.7 t -135.74 127.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.699 ' CE2' HG21 ' A' ' 151' ' ' THR . 75.1 m-85 -137.03 85.77 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.609 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.7 mtm -65.43 141.88 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.56 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -129.76 -178.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.92 38.84 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -163.63 141.48 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.611 ' HB ' HD11 ' A' ' 79' ' ' LEU . 53.2 t -80.68 74.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.604 HD11 HG12 ' A' ' 135' ' ' VAL . 67.0 mt -33.48 151.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.3 mtp -141.11 144.87 36.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.47 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 134.08 17.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.542 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 109' ' ' PRO . 4.2 p -142.78 151.95 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.76 147.72 22.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.993 -160.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.571 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -39.95 1.04 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.98 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -55.65 -64.98 3.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.07 -52.19 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -39.94 -52.26 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 mt-10 -80.65 -41.59 23.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 52.8 t80 -35.0 -66.51 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.91 -53.79 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.26 -42.26 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.77 -51.97 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -118.28 81.83 17.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.76 5.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.0 p -127.6 -165.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.43 174.43 48.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -10.32 21.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.729 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -80.0 -34.72 38.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -56.16 170.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 145' ' ' VAL . 26.6 t -61.12 -69.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -55.48 -21.72 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.62 -63.69 3.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.65 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.4 ptp -58.93 -13.53 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 15.0 m -69.97 -28.33 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.89 8.27 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.83 164.06 42.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.58 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.98 144.29 30.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.793 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.721 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 10.0 p -24.9 -50.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 30' ' ' VAL . . . -49.41 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 32' ' ' VAL . 11.8 t -40.11 -39.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -47.78 -55.86 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.522 ' C ' HG21 ' A' ' 44' ' ' THR . . . -75.21 -16.08 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.735 ' N ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.68 33.68 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -143.74 -41.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -47.16 131.07 9.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 170.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.729 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.2 mm-40 -122.73 -2.25 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 14.3 mt -113.47 -35.52 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -32.77 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.3 m -65.69 -55.48 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.72 -49.51 74.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.756 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -48.47 -54.58 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -43.63 -38.31 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.29 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.855 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.15 -62.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.714 ' HA ' HG23 ' A' ' 58' ' ' VAL . 9.1 t -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.41 -21.53 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.504 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 7.7 mt-30 -43.25 -25.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -108.63 -45.68 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.799 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -108.9 99.47 35.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.0 12.71 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.2 mt-30 -126.63 5.47 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -126.06 179.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.546 ' N ' HG23 ' A' ' 55' ' ' VAL . 5.4 p30 173.57 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.0 mm? -91.82 -22.97 19.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.714 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.5 t -34.1 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.61 ' N ' HG12 ' A' ' 58' ' ' VAL . 10.1 t0 -48.1 -50.58 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.614 ' O ' ' CE2' ' A' ' 66' ' ' TYR . 53.3 m -60.68 -11.47 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.1 mt -101.51 -38.7 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.571 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 20.7 p-10 -83.49 46.69 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -169.6 109.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 93.55 127.68 4.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -47.51 111.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE2' ' O ' ' A' ' 60' ' ' THR . 4.1 m-30 -115.11 -174.17 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 1.034 HG23 ' HB ' ' A' ' 151' ' ' THR . 51.0 m -152.0 85.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.873 HG12 ' HB2' ' A' ' 70' ' ' ALA . 94.7 t -50.92 135.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CD2' HG23 ' A' ' 103' ' ' VAL . 6.8 m-85 -125.99 70.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.873 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.29 127.78 32.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -136.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 155' ' ' ILE . 33.5 p -56.5 165.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.87 69.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.5 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -76.13 -44.52 38.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 30.8 m-85 -66.11 -28.7 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -70.3 -47.43 61.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' SER . 25.5 mtpt -39.75 -36.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.994 HD12 HG21 ' A' ' 83' ' ' THR . 0.3 OUTLIER -50.78 163.34 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.584 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 8.27 2.49 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.784 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 80' ' ' PRO . . . 76.37 -54.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.2 p -49.71 -44.41 48.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.994 HG21 HD12 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -53.36 -50.79 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 87' ' ' LEU . 32.9 mm -52.04 -65.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 6.3 m-20 -41.28 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.471 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 0.9 OUTLIER -75.9 -44.29 41.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.801 HD23 ' ND2' ' A' ' 90' ' ' ASN . 20.9 mt -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.76 -7.86 4.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 87' ' ' LEU . 10.2 t -144.14 42.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.801 ' ND2' HD23 ' A' ' 87' ' ' LEU . 95.9 m-20 -122.79 -50.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 40.1 31.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -151.12 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.42 -13.19 50.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -95.81 -52.8 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 99' ' ' THR . 0.8 OUTLIER -42.29 -40.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.486 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.6 OUTLIER -63.46 -38.07 89.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' LEU . 5.0 mt -68.17 -56.26 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -50.5 -52.3 39.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 95' ' ' THR . 26.2 p -59.41 -44.59 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.652 ' CE2' ' O ' ' A' ' 160' ' ' MET . 50.7 t80 -66.38 -14.68 62.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.641 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.2 m-70 -91.61 20.36 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.679 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.82 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 117' ' ' GLN . 97.7 t -105.86 141.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.9 103.69 15.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.27 101.13 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 134.38 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.426 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 15.5 m -153.32 134.54 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p -66.15 164.64 27.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.464 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.99 50.87 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 -45.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -98.77 -29.85 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 126' ' ' VAL . 1.4 p -48.75 -29.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.82 HG13 ' HA ' ' A' ' 127' ' ' THR . 51.1 t -64.77 128.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.46 -179.78 16.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.0 m -63.73 99.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.699 ' NH2' HG21 ' A' ' 67' ' ' THR . 0.0 OUTLIER -98.02 -177.0 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.877 ' O ' HG13 ' A' ' 103' ' ' VAL . 6.7 tt0 -135.43 116.65 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.512 ' HA ' HG22 ' A' ' 103' ' ' VAL . 69.2 p -78.58 168.22 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.679 HD23 HG13 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -65.76 -25.46 67.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 28.9 tp60 -73.84 -1.08 17.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 95.32 -52.03 1.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.886 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -45.07 163.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 p -101.79 151.64 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 116' ' ' ARG . 3.7 p -125.58 96.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 136' ' ' GLY . 32.4 m -67.05 92.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.716 HG13 HG22 ' A' ' 135' ' ' VAL . 16.5 t -80.12 164.23 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.82 ' HA ' HG13 ' A' ' 113' ' ' VAL . 20.7 m -156.1 173.12 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.69 154.94 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.716 HG22 HG13 ' A' ' 126' ' ' VAL . 2.5 t -140.16 103.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 125' ' ' THR . . . 63.71 -68.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.9 m120 -141.92 -41.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.734 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -60.3 177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -124.13 121.76 36.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.33 127.12 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.98 HG12 ' HA3' ' A' ' 7' ' ' GLY . 1.8 t -106.4 -34.86 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.778 ' SG ' HG21 ' A' ' 145' ' ' VAL . 14.9 t -161.63 98.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.96 156.75 15.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.8 18.68 53.99 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 22' ' ' VAL . 5.4 t -91.59 64.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 4.5 m -55.0 129.33 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 25' ' ' MET . 16.7 p -87.47 -107.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.19 -37.44 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -157.54 35.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.721 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -167.93 136.24 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 1.034 ' HB ' HG23 ' A' ' 67' ' ' THR . 52.3 m -79.06 171.49 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.496 ' N ' HG22 ' A' ' 151' ' ' THR . 1.3 t -138.92 129.06 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.0 m-85 -135.78 86.32 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.473 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -57.46 146.38 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.752 ' O ' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -138.04 169.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 6.0 p-10 -110.61 47.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.604 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 4.4 m -175.82 149.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' A' ' 159' ' ' LEU . 71.6 t -81.56 68.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 135' ' ' VAL . 1.6 tp -29.68 139.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.652 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.7 mtp -132.15 147.41 65.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 129.87 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.886 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -114.31 127.41 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.43 156.07 8.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.625 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -56.31 -44.16 89.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.85 -31.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -65.98 -69.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -58.16 -50.16 74.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 52.9 t80 -38.72 -64.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.84 -43.09 6.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -74.31 -47.67 33.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -124.71 80.64 61.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.02 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -132.84 106.12 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . -175.01 -164.34 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.45 10.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 34.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.455 ' O ' ' CE ' ' A' ' 25' ' ' MET . 97.1 p -106.25 175.78 5.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.003 HG12 HG13 ' A' ' 145' ' ' VAL . 27.1 m -76.02 -15.16 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 26' ' ' SER . 48.5 tt0 -107.04 -52.48 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -48.88 -21.91 2.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.81 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.5 ptp -93.82 -19.23 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' GLN . 0.4 OUTLIER -58.88 -43.96 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.59 -18.54 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.595 ' CG ' HG12 ' A' ' 32' ' ' VAL . 89.2 m-20 -95.44 143.96 27.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.527 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.04 97.41 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.722 HG13 ' H ' ' A' ' 31' ' ' ALA . 7.6 p 32.29 -120.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.722 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -9.06 -71.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 35' ' ' SER . 73.7 t -33.64 -60.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.81 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -36.94 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -41.93 -31.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.741 ' CB ' HG21 ' A' ' 44' ' ' THR . 3.3 t -77.28 48.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -166.0 -39.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.852 ' O ' HG23 ' A' ' 41' ' ' THR . 0.8 OUTLIER -54.75 130.9 65.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 170.034 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.78 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.63 4.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' C ' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -119.51 -8.05 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 34' ' ' ALA . 41.5 mt -109.82 -31.79 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.852 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.7 p -34.43 -37.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.58 -56.35 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.962 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -61.3 -47.98 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.741 HG21 ' CB ' ' A' ' 35' ' ' SER . 6.8 m -46.23 -57.38 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.96 -42.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -61.99 -70.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.752 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.89 -63.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.458 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -38.11 -52.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.57 -25.38 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -41.03 -49.29 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -77.68 -48.18 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.847 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -115.05 90.45 23.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 8.84 2.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -111.28 4.63 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.847 HG12 ' HB2' ' A' ' 52' ' ' ASN . 6.4 p -154.3 158.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.9 p30 -150.97 129.99 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' ' C ' ' A' ' 58' ' ' VAL . 1.5 mm? -109.29 -48.51 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.771 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -21.68 -79.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.771 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.61 -55.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -57.71 -51.66 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -54.36 -33.37 58.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.91 52.26 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -115.72 -93.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.71 179.94 22.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mt-30 -58.33 106.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 12.4 m-30 -111.81 -170.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.914 HG23 ' HB ' ' A' ' 151' ' ' THR . 26.0 m -152.04 86.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.819 HG12 ' HB2' ' A' ' 70' ' ' ALA . 46.3 t -52.12 137.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.0 m-85 -125.29 65.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.819 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.7 125.77 50.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -139.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.962 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.469 HG21 HG21 ' A' ' 141' ' ' VAL . 20.2 p -52.92 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.429 ' ND2' ' C ' ' A' ' 39' ' ' GLU . 1.5 m-80 -84.08 0.51 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.46 -12.83 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 157' ' ' SER . . . -79.19 -42.46 26.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.812 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.4 m-85 -77.06 -44.82 29.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -49.6 -23.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.48 -29.37 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.492 HD11 HG21 ' A' ' 158' ' ' VAL . 31.5 mt -82.57 154.72 68.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.18 26.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.78 -48.41 4.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -42.91 -58.37 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.86 -47.15 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.84 -47.37 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -19.12 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 6.5 tp10 -84.84 -52.48 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.544 HD23 ' ND2' ' A' ' 90' ' ' ASN . 5.9 mt -54.66 -19.14 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.9 mttt -81.07 4.43 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.7 p -145.93 14.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.544 ' ND2' HD23 ' A' ' 87' ' ' LEU . 2.6 m-20 -117.77 156.0 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 91' ' ' SER . 2.8 t -149.37 18.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.02 -43.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.79 -36.12 23.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.823 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -74.22 -49.29 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.8 t -47.71 -43.13 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.518 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -51.81 -45.88 64.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.704 HG22 HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -62.57 -54.64 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.823 HD21 HD12 ' A' ' 94' ' ' LEU . 2.3 mt -45.33 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.493 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 68.6 p -43.16 -49.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.7 t80 -58.77 -16.09 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.741 ' NE2' ' N ' ' A' ' 159' ' ' LEU . 18.7 m-70 -99.43 20.66 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.33 117.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.822 HG22 ' HA ' ' A' ' 118' ' ' THR . 2.9 t -95.92 159.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -104.59 97.41 7.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.87 87.97 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.44 128.89 8.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.443 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 30.9 m -147.27 126.61 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.6 p -61.65 168.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.06 49.52 2.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -134.13 -45.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 113' ' ' VAL . 32.2 m-20 -98.23 -34.98 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.57 -29.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.73 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.6 p -63.09 139.9 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.12 171.03 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 115' ' ' THR . 2.4 t -62.35 99.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -98.83 179.74 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 103' ' ' VAL . 42.3 tt0 -118.35 119.72 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.822 ' HA ' HG22 ' A' ' 103' ' ' VAL . 31.1 p -92.49 166.42 12.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.737 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 16.2 mt -51.75 -58.65 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.493 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -38.51 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 107.62 -17.34 36.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.16 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 17.3 m -81.42 139.93 34.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.7 p -115.83 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.3 m -65.33 85.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 124' ' ' VAL . 60.2 t -76.45 155.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.73 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -152.5 169.29 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.513 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.513 HD23 ' HA3' ' A' ' 128' ' ' GLY . 4.9 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.15 155.15 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.541 ' CG1' HD21 ' A' ' 159' ' ' LEU . 1.6 t -150.25 123.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.87 47.02 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.5 t-20 87.74 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.768 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -50.07 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -121.74 114.15 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 42.2 t -56.44 102.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.625 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.3 t -70.31 -49.04 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 11.0 t -155.13 105.54 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.43 167.17 12.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.64 17.69 67.68 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.003 HG13 HG12 ' A' ' 22' ' ' VAL . 1.6 t -85.42 51.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.3 m -43.67 128.98 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.651 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.9 OUTLIER -98.04 -103.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.61 -75.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -125.41 46.33 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.531 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -178.36 143.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.914 ' HB ' HG23 ' A' ' 67' ' ' THR . 19.5 m -81.59 176.09 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.55 ' H ' HG22 ' A' ' 151' ' ' THR . 1.8 t -142.96 125.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.548 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 91.2 m-85 -133.47 91.72 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 2.2 mtm -61.79 140.69 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.768 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -140.66 172.39 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.553 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 1.5 p-10 -114.43 49.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.646 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.8 OUTLIER -173.44 121.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.861 ' O ' HG23 ' A' ' 158' ' ' VAL . 0.9 OUTLIER -69.91 70.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.741 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 1.8 mp -25.48 143.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.725 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.63 144.58 53.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.518 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.95 113.16 3.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.582 HG21 ' CB ' ' A' ' 109' ' ' PRO . 33.4 m -117.34 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.16 151.71 8.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.637 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -52.13 -47.45 55.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -41.68 -51.84 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.37 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -53.31 -54.45 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 72.1 t80 -37.36 -66.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.82 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.05 -42.83 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.73 -50.21 26.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -120.63 90.05 45.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.53 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.1 p -146.76 -176.73 5.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.3 -154.45 16.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -32.93 4.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -76.77 -117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ALA . 11.0 m 42.05 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG12 HG13 ' A' ' 145' ' ' VAL . 32.6 m -92.78 -29.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -90.52 -28.3 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -61.49 -15.43 46.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.634 ' CG ' HG22 ' A' ' 147' ' ' THR . 15.5 ptp -110.18 -17.67 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 147' ' ' THR . 58.6 m -73.97 -15.42 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -92.82 7.92 41.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.623 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -140.91 170.09 10.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.98 143.43 29.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.696 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 14.2 p -28.12 -41.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -55.11 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' SER . 40.8 t -42.34 -37.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -45.26 -30.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.05 -29.67 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.7 ' CB ' HG21 ' A' ' 44' ' ' THR . 17.5 t -67.54 -8.39 33.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -90.26 -55.4 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.908 ' O ' HG23 ' A' ' 41' ' ' THR . 1.3 t-20 -53.72 139.88 49.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -167.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.9 mm-40 -124.89 1.74 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.535 HD22 ' HB1' ' A' ' 70' ' ' ALA . 29.7 mt -117.53 -33.4 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.908 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.4 p -34.84 -43.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.45 -54.06 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.943 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.88 -40.41 84.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.7 HG21 ' CB ' ' A' ' 35' ' ' SER . 18.5 m -51.12 -56.23 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.35 -33.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -70.51 -73.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.904 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.657 ' HA ' HG23 ' A' ' 58' ' ' VAL . 54.0 p -47.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.16 -21.94 0.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.601 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 5.5 mt-30 -38.39 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.49 -55.06 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.77 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -125.95 129.03 24.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.95 0.71 10.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.929 HG11 HD21 ' A' ' 94' ' ' LEU . 3.6 m -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.4 p30 -138.17 98.21 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.7 mm? -87.96 -31.57 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' A' ' 48' ' ' SER . 41.6 t -36.25 -65.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -39.91 -40.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 7.8 m -78.2 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.81 HD21 HG21 ' A' ' 102' ' ' VAL . 46.8 mt -32.96 -46.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -81.94 50.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.9 t -114.37 -91.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -118.36 -175.51 16.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -52.18 106.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 5.0 m-30 -113.63 -175.08 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.967 HG23 ' HB ' ' A' ' 151' ' ' THR . 37.2 m -152.21 88.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.821 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.8 t -52.51 141.6 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 10.2 m-85 -130.36 66.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -98.91 130.32 27.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -137.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.943 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 127.64 10.86 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 155' ' ' ILE . 37.1 p -74.98 173.6 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 5.6 m120 -61.82 -29.95 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.61 -0.99 52.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -95.86 -44.57 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.78 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.6 m-85 -71.07 -30.96 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -60.37 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HB3' HG21 ' A' ' 83' ' ' THR . 29.9 mt -56.15 149.7 34.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.46 35.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.28 -51.59 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -41.41 -50.82 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.13 -48.25 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.37 -59.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.56 -24.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -78.97 -48.52 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.69 ' O ' HD22 ' A' ' 94' ' ' LEU . 4.6 mt -50.82 -22.63 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -91.85 27.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 6.5 t -174.83 35.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -119.0 -73.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.413 ' H ' HD23 ' A' ' 94' ' ' LEU . 7.0 t 69.77 12.3 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 m -136.84 -44.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -93.98 -20.12 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.929 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -86.15 -45.63 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -52.61 -45.29 66.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.559 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.45 -39.15 60.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.609 HG22 HD23 ' A' ' 98' ' ' LEU . 2.0 mt -65.16 -60.08 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.837 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -47.88 -58.27 4.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 1.036 HG22 HD11 ' A' ' 119' ' ' LEU . 2.1 p -48.89 -49.45 39.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.755 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.1 t80 -59.91 -24.7 64.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.66 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 64.5 m-70 -82.75 21.29 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.908 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.0 t -153.36 141.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 117' ' ' GLN . 31.2 t -129.15 128.78 67.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.58 98.0 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' NH2' ' A' ' 116' ' ' ARG . . . 139.62 107.87 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 131.68 44.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.8 m -154.35 127.97 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.4 p -59.07 168.63 1.45 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.582 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 50.12 2.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.18 -45.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 9.6 m120 -99.71 -27.79 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -53.59 -19.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 127' ' ' THR . 57.6 t -60.77 148.04 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.78 -177.68 46.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.44 ' H ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -56.32 127.69 32.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -128.45 136.18 50.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.734 ' O ' HG13 ' A' ' 103' ' ' VAL . 20.9 tt0 -81.6 127.22 32.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.759 ' CG2' HG22 ' A' ' 124' ' ' VAL . 9.6 p -102.13 163.19 12.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.036 HD11 HG22 ' A' ' 99' ' ' THR . 0.8 OUTLIER -59.64 -21.15 60.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.537 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 29.9 tp60 -69.8 -36.69 75.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -27.39 5.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.764 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -75.98 172.22 13.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 p -109.2 150.36 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.759 HG22 ' CG2' ' A' ' 118' ' ' THR . 0.1 OUTLIER -112.8 110.75 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.6 m -69.13 73.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 135' ' ' VAL . 16.5 t -67.72 159.75 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.58 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -160.53 171.02 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.455 ' HA2' HD22 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.641 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 135' ' ' VAL . 20.7 mttt -134.26 159.61 40.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.966 HG12 HD21 ' A' ' 159' ' ' LEU . 2.1 t -156.96 133.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.72 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . 35.78 43.37 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.5 t-20 87.72 -47.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -46.45 172.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 17.8 m-20 -117.28 122.59 44.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.641 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 63.8 t -59.99 123.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.637 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.7 t -94.67 -53.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.2 t -149.91 103.02 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 108.337 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.559 ' O ' HG22 ' A' ' 4' ' ' VAL . . . -113.23 160.61 13.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.19 23.97 38.85 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.597 HG13 HG12 ' A' ' 22' ' ' VAL . 2.6 t -95.16 66.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.0 m -52.74 128.14 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.669 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 4.8 p -88.12 -108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.15 -41.15 4.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -151.95 41.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.696 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -177.5 151.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.967 ' HB ' HG23 ' A' ' 67' ' ' THR . 32.9 m -89.21 173.96 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.512 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -140.18 128.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.513 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -135.69 89.46 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 6.5 mtm -62.62 143.89 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.614 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -133.68 173.63 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 1.3 p-10 -110.16 38.5 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.61 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -168.83 152.72 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 158' ' ' VAL . 89.0 t -73.26 13.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.966 HD21 HG12 ' A' ' 135' ' ' VAL . 8.6 mt 51.08 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.755 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 33.4 mtp 82.06 140.89 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.559 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.93 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.764 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.543 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.519 HG11 ' CB ' ' A' ' 109' ' ' PRO . 11.0 p -136.02 165.03 30.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 82.67 154.55 15.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.54 1.15 . . . . 0.0 111.06 -170.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.457 1.767 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -46.72 -38.96 10.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.01 -50.11 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.21 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -40.91 -54.1 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.6 t80 -40.3 -55.3 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.03 -47.52 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -58.54 -41.87 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.38 -45.91 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.677 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 60.1 m-80 -124.31 73.69 59.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.0 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' GLY . 13.6 p -115.8 -16.8 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.86 174.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -95.37 -1.75 50.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.2 p -68.43 166.35 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.792 HG13 ' CG1' ' A' ' 145' ' ' VAL . 17.5 t -58.36 -27.85 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' SER . 55.2 tt0 -92.06 -47.45 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.77 -22.9 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.669 ' SD ' HG22 ' A' ' 147' ' ' THR . 13.7 ptp -99.86 -24.09 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' GLN . 22.8 t -61.77 -15.97 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.19 25.84 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 24.6 m-20 -148.36 153.03 40.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.622 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.805 HG13 ' H ' ' A' ' 31' ' ' ALA . 3.1 p 27.5 -106.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . . . -18.08 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.622 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 54.3 t -30.52 -55.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -42.9 -62.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -46.22 -24.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.902 ' OG ' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -79.61 46.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -154.11 -46.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 1.001 ' O ' HG23 ' A' ' 41' ' ' THR . 29.1 t-20 -48.39 131.78 13.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.699 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 8.08 2.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 1.1 mm-40 -128.0 3.67 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.608 HD22 ' HB1' ' A' ' 70' ' ' ALA . 34.9 mt -118.87 -29.55 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.001 HG23 ' O ' ' A' ' 37' ' ' ASN . 53.6 p -36.23 -40.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -63.17 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.836 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.55 -48.21 82.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.902 HG21 ' OG ' ' A' ' 35' ' ' SER . 1.2 m -49.35 -58.07 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB3' HD13 ' A' ' 51' ' ' LEU . . . -41.28 -37.09 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.7 -73.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -43.57 -59.55 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 1.1 p -43.96 -66.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.497 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 148.79 -21.1 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.09 -24.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD13 ' HB3' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -100.52 -44.7 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.89 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -123.01 106.08 34.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -115.9 -2.45 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.89 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -126.76 149.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.955 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.8 p30 -159.66 101.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.955 HD23 ' C ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -109.63 -27.07 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.511 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.8 p -33.54 -56.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' H ' HG13 ' A' ' 58' ' ' VAL . 7.7 m-20 -61.17 -39.15 89.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' LEU . 64.1 m -62.97 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.82 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 2.2 mm? -30.79 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' THR . 55.6 t30 -82.2 50.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -91.85 -84.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -156.62 118.85 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.54 ' O ' ' O ' ' A' ' 64' ' ' GLY . 14.2 mt-30 37.81 99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.712 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 2.6 m-85 -122.84 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.943 HG23 ' HB ' ' A' ' 151' ' ' THR . 23.8 m -152.49 85.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.84 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.6 t -52.64 133.5 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 7.2 m-85 -120.9 65.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.84 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -93.9 128.07 42.87 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -138.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.836 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.04 119.97 5.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 155' ' ' ILE . 66.3 p -67.62 177.73 1.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 9.3 m120 -61.03 -55.98 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.51 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -74.99 -51.8 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.689 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 24.4 m-85 -68.38 -37.54 80.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -42.48 76.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.7 mtmt -40.67 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' LYS . 9.6 mt -39.69 150.13 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.86 59.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.84 -46.51 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -53.03 60.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.548 HG22 ' HE3' ' A' ' 88' ' ' LYS . 44.8 mm -56.23 -41.63 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.18 -16.89 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.677 ' O ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -88.33 -39.33 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.589 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.7 mt -60.45 -35.45 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HE3' HG22 ' A' ' 84' ' ' ILE . 14.0 mtmt -76.26 34.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.4 t -171.1 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.572 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.2 m-20 -43.59 -71.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 17.3 t 65.42 21.15 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.39 -45.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.5 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -89.48 -25.46 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -83.65 -50.8 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 99' ' ' THR . 7.3 m -47.67 -45.09 27.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 2.0 m -56.88 -37.86 71.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.473 HG23 ' HD2' ' A' ' 101' ' ' HIS . 6.7 mt -65.04 -61.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -38.95 -63.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.747 HG22 HD22 ' A' ' 119' ' ' LEU . 63.0 p -47.09 -48.56 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.672 ' CE2' ' O ' ' A' ' 160' ' ' MET . 25.2 t80 -63.62 -12.97 37.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.856 ' CE1' HD11 ' A' ' 155' ' ' ILE . 11.7 m-70 -97.4 21.48 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -155.36 135.71 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.795 HG22 ' HA ' ' A' ' 118' ' ' THR . 19.4 t -117.63 134.68 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.42 95.96 9.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.19 86.39 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.53 138.9 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.562 ' HB ' HG13 ' A' ' 112' ' ' VAL . 33.3 m -152.58 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.588 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 52.3 p -73.05 159.85 84.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 49.53 2.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.85 19.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.4 m120 -156.74 -52.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.7 -40.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 111' ' ' ASN . 13.8 p -38.8 149.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.01 -172.41 41.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 123' ' ' SER . 1.2 m -62.45 127.67 32.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.71 ' O ' HG12 ' A' ' 124' ' ' VAL . 3.4 tpm_? -140.4 126.68 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 103' ' ' VAL . 47.9 tt0 -69.09 125.27 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.795 ' HA ' HG22 ' A' ' 103' ' ' VAL . 18.0 p -99.5 177.78 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.448 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.747 HD22 HG22 ' A' ' 99' ' ' THR . 0.9 OUTLIER -54.95 -61.24 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -38.13 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.32 -21.77 21.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -66.84 -175.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 115' ' ' THR . 3.2 m -120.18 138.37 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.2 p -112.22 118.85 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 125' ' ' THR . 3.2 m -80.38 79.11 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 135' ' ' VAL . 38.9 t -64.33 158.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.54 ' HA ' HG23 ' A' ' 113' ' ' VAL . 3.5 m -147.63 169.99 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.78 159.37 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 137' ' ' ASN . 1.8 t -147.16 114.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.26 -80.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' VAL . 4.9 m120 -147.21 20.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -117.46 177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -118.7 124.55 47.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.58 128.68 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.548 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -101.53 -46.14 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.5 t -156.1 100.53 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.37 164.14 12.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.39 23.33 58.82 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.792 ' CG1' HG13 ' A' ' 22' ' ' VAL . 1.6 t -90.66 52.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 22.8 m -40.84 124.59 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.669 HG22 ' SD ' ' A' ' 25' ' ' MET . 1.8 p -90.24 -102.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.6 -64.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -134.82 27.59 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.784 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -154.88 149.77 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.943 ' HB ' HG23 ' A' ' 67' ' ' THR . 44.0 m -86.17 175.99 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.571 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -142.27 127.11 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.499 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 89.5 m-85 -135.28 90.48 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.482 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 3.8 mtm -62.72 138.89 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.856 HD11 ' CE1' ' A' ' 101' ' ' HIS . 9.4 pt -129.58 165.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 8.3 p-10 -108.98 43.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.659 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -169.59 135.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 158' ' ' VAL . 54.4 t -74.18 77.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.609 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.3 tp -37.37 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.672 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.1 mtt -144.93 146.85 32.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.416 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.01 142.78 28.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.657 HG21 ' CB ' ' A' ' 109' ' ' PRO . 34.7 m -133.07 139.15 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.33 152.92 9.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.687 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.28 -33.24 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.19 -31.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.18 -72.06 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 40.0 mm-40 -42.93 -52.0 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.3 t80 -44.23 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 14' ' ' ALA . . . -47.81 -48.44 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.9 -28.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -97.59 -37.8 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -130.37 84.73 58.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -109.62 -161.56 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.75 178.24 51.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.97 -10.57 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.679 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -78.56 -35.06 46.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -46.06 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 145' ' ' VAL . 25.5 t -64.32 -44.42 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -78.52 -35.04 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.71 -59.97 9.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.703 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 11.5 ptp -55.63 -22.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -60.13 -19.33 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -89.12 -18.88 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.577 ' OD1' HG12 ' A' ' 32' ' ' VAL . 67.4 m-20 -92.83 146.61 32.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.538 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.749 HG13 ' H ' ' A' ' 31' ' ' ALA . 11.1 p 31.28 -121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.749 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.87 -72.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.577 HG12 ' OD1' ' A' ' 28' ' ' ASP . 74.1 t -30.11 -62.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.703 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.3 -64.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.655 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -49.38 -52.99 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.724 ' CB ' HG21 ' A' ' 44' ' ' THR . 40.2 t -46.48 -23.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.56 HD22 ' N ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -132.93 28.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.9 132.11 35.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 139.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.679 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 10.83 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.783 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.2 mt-10 -119.47 -19.14 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.046 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.33 -4.91 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.614 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 82.8 p -34.92 -43.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.563 HG21 ' CG ' ' A' ' 76' ' ' PHE . 60.1 m -65.32 -52.16 55.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.946 ' HG ' HD21 ' A' ' 47' ' ' LEU . 3.7 tp -45.98 -61.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.724 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -45.61 -65.69 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -31.02 -42.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HA ' HD22 ' A' ' 51' ' ' LEU . . . -63.62 -66.15 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.946 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -60.09 -62.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.9 p -36.71 -49.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 124.29 -25.4 6.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -38.38 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -85.59 -65.49 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -112.94 121.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.05 5.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -111.38 7.29 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.777 HG21 ' CD2' ' A' ' 94' ' ' LEU . 76.8 t -125.88 138.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.1 p30 -157.78 119.57 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.616 ' O ' ' C ' ' A' ' 58' ' ' VAL . 11.7 mt -128.82 -45.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -20.21 -80.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.772 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.7 m-20 -35.74 -56.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' LEU . 71.9 m -54.78 -62.19 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.73 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.18 -32.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 7.3 t-20 -92.15 54.35 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 t -122.54 -91.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -96.91 169.57 25.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -53.68 105.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 6.6 m-30 -111.19 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 1.006 HG23 ' HB ' ' A' ' 151' ' ' THR . 42.0 m -152.75 90.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 70' ' ' ALA . 5.1 t -52.97 141.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.6 m-85 -133.46 63.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.864 ' HB1' HD22 ' A' ' 43' ' ' LEU . . . -100.26 131.9 23.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -137.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.727 ' HA ' HD12 ' A' ' 155' ' ' ILE . 18.2 Cg_endo -75.0 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.642 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 25.1 p -57.01 -160.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 3.8 p30 -77.7 -39.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.27 36.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.65 -68.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.715 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 62.7 m-85 -58.54 -27.39 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -65.28 -36.51 84.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -57.96 -61.47 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.646 HD13 HG21 ' A' ' 83' ' ' THR . 25.0 mt -46.59 147.93 1.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.96 155.67 43.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -45.61 63.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.88 -52.62 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.646 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -56.31 -48.18 77.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.679 HG22 ' HE2' ' A' ' 88' ' ' LYS . 36.8 mm -61.75 -48.91 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -17.35 26.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.21 -47.02 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.532 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -57.65 -18.76 22.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.679 ' HE2' HG22 ' A' ' 84' ' ' ILE . 12.8 mttm -90.06 18.51 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 t -170.29 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.556 ' CG ' HD23 ' A' ' 93' ' ' LEU . 95.2 m-20 -116.2 -73.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER 75.61 -56.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.6 p -90.05 46.33 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.556 HD23 ' CG ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -170.04 -48.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.053 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -65.82 -38.42 88.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 99' ' ' THR . 1.3 m -54.0 -40.69 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -55.83 -39.36 71.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.576 HG22 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -66.56 -59.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.053 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -44.22 -63.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 95' ' ' THR . 67.6 p -46.04 -49.53 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.459 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.2 t80 -59.65 -20.24 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.716 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 25.3 m-70 -89.92 22.29 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.93 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.8 t -152.24 150.78 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 117' ' ' GLN . 99.8 t -133.75 136.78 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 100.7 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.08 95.27 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.434 ' NE2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -51.5 140.48 17.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 7.0 m -153.81 150.75 28.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.3 p -85.48 161.84 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.657 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.01 46.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -153.29 20.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 112' ' ' VAL . 18.3 m120 -153.73 -52.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.37 -44.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 127' ' ' THR . 42.9 t -42.68 124.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 135.04 -179.44 17.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 65.8 m -72.74 70.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -71.12 176.52 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.996 ' O ' HG13 ' A' ' 103' ' ' VAL . 24.2 tt0 -126.66 123.66 38.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -86.37 149.96 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.93 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -47.95 -28.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.495 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 16.6 tm0? -57.09 -51.0 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 141.71 -28.46 2.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.05 178.45 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -109.82 134.03 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.412 HG13 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -104.58 108.11 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.7 m -74.7 81.49 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.672 HG13 ' CG2' ' A' ' 135' ' ' VAL . 43.9 t -72.26 146.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.671 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -147.63 -177.14 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 133' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -127.47 161.4 28.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.882 HG12 HD11 ' A' ' 159' ' ' LEU . 1.4 t -150.48 94.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 79.67 -22.99 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 3.2 m-20 155.82 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.738 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -69.34 168.93 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' VAL . 11.8 m-20 -113.31 107.87 16.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 154' ' ' MET . 93.6 t -47.07 96.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.687 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -59.69 -47.12 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 42.4 t -162.18 108.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.237 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.82 173.82 16.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.63 19.86 79.74 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -90.46 50.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 43.1 m -39.1 118.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.55 HG22 ' HG3' ' A' ' 25' ' ' MET . 2.3 p -81.23 -105.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.31 -68.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -130.8 46.42 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.541 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -178.97 137.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 1.006 ' HB ' HG23 ' A' ' 67' ' ' THR . 94.4 m -70.26 168.19 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -133.92 128.3 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.721 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.8 m-85 -136.63 86.76 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.642 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.3 OUTLIER -63.2 138.62 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.5 pp -133.71 160.63 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -106.29 50.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.738 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -166.98 131.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.052 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 158' ' ' VAL . 78.1 t -75.07 70.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.882 HD11 HG12 ' A' ' 135' ' ' VAL . 30.4 mt -33.98 150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.689 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.1 mtt -142.29 145.03 33.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.48 24.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 m -119.36 121.73 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.26 152.38 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 -176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.789 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.32 -46.02 4.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -40.02 -30.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -73.63 -69.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -54.45 -53.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' GLY . 68.2 t80 -48.18 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.52 -48.48 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -50.08 -32.56 15.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.54 -42.62 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -127.41 77.06 76.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p -121.64 173.34 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.85 -171.93 19.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.98 18.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.878 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -97.1 39.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.25 -172.28 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.956 HG13 HG13 ' A' ' 145' ' ' VAL . 32.8 t -78.56 -48.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -20.61 29.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.29 -46.74 25.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.819 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 9.4 ptp -63.64 -9.99 16.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -68.27 -43.15 78.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.51 -12.11 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.52 ' CG ' HG12 ' A' ' 32' ' ' VAL . 61.2 m-20 -100.12 143.71 27.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.94 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.771 HG13 ' H ' ' A' ' 31' ' ' ALA . 13.8 p 31.21 -124.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.771 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -7.79 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 35' ' ' SER . 83.3 t -29.6 -61.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.819 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.14 -56.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 1.007 ' HB2' HG21 ' A' ' 44' ' ' THR . 0.1 OUTLIER -55.12 -17.61 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.493 HD22 ' N ' ' A' ' 36' ' ' ASN . 1.5 m-80 -97.47 -34.99 10.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.66 ' O ' HG23 ' A' ' 41' ' ' THR . 2.4 m-20 -60.94 131.38 91.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 174.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.878 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 8.07 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.744 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -120.07 -18.78 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.057 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.7 -10.26 16.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -39.17 -39.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.607 HG23 ' CE2' ' A' ' 76' ' ' PHE . 5.2 t -70.7 -45.81 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.999 HD13 ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -51.57 -68.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 1.007 HG21 ' HB2' ' A' ' 35' ' ' SER . 0.2 OUTLIER -46.53 -63.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.45 -41.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.2 -70.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.781 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -50.79 -60.87 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.547 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.12 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.9 -21.28 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.0 mt-30 -46.15 -22.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -112.42 -44.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.867 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.49 91.39 20.16 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -129.55 3.15 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 52' ' ' ASN . 8.4 p -150.23 150.95 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -150.91 104.5 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 60' ' ' THR . 8.4 mp -104.55 -32.54 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.593 HG13 ' N ' ' A' ' 59' ' ' ASP . 12.8 p -37.88 -57.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -46.86 -43.35 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.3 m -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.0 mt -34.14 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 60' ' ' THR . 0.8 OUTLIER -87.58 53.18 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -124.43 -88.85 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.48 -175.98 40.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 mp0 -76.02 105.93 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 15.4 m-30 -112.87 -168.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 1.013 HG23 ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.67 92.85 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.984 HG12 ' HB2' ' A' ' 70' ' ' ALA . 43.7 t -51.72 138.08 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.614 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.5 m-85 -130.07 70.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.984 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -106.91 126.9 29.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -135.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.999 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.99 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.564 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 62.7 p -61.83 -159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -90.46 4.44 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.49 -1.96 20.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' HB1' ' C ' ' A' ' 157' ' ' SER . . . -98.55 -60.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.768 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 59.1 m-85 -55.78 -19.65 12.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -16.62 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.34 -48.02 62.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 158' ' ' VAL . 7.9 mt -69.47 151.77 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.51 36.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.76 -42.85 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 t -48.64 -42.01 32.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -47.03 66.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -62.67 -55.16 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -24.77 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.0 tp10 -82.3 -47.11 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 87' ' ' LEU . 4.7 mt -53.77 -20.98 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -86.15 8.87 19.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' GLU . 73.1 p -144.45 13.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.481 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.1 m-20 -121.44 161.05 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.63 20.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.96 -45.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.053 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -82.43 -29.79 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.033 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -47.12 12.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.491 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -49.8 -45.73 50.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 11.3 p -49.71 -40.8 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.764 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -67.42 -58.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.033 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.23 -56.54 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.7 p -49.11 -48.61 44.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 1.021 ' CE1' HG13 ' A' ' 124' ' ' VAL . 11.9 t80 -65.25 -11.58 42.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.682 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.0 m-70 -95.56 22.89 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -161.26 131.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.801 HG13 HH21 ' A' ' 116' ' ' ARG . 2.5 t -109.64 163.15 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -105.17 101.86 11.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 126.79 91.66 0.79 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -45.36 134.77 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.2 m -143.57 147.84 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.643 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 5.9 p -87.65 161.86 43.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HG3' ' HA3' ' A' ' 144' ' ' GLY . 18.2 Cg_endo -74.99 46.9 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.67 15.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 113' ' ' VAL . 79.6 m-20 -152.73 -53.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.643 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.33 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 111' ' ' ASN . 84.4 t -43.28 141.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.46 -107.44 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.76 HG23 ' HB2' ' A' ' 123' ' ' SER . 1.9 m -147.81 97.34 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.801 HH21 HG13 ' A' ' 103' ' ' VAL . 2.9 mmm180 -81.61 170.23 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -119.33 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.909 HG21 ' CD1' ' A' ' 100' ' ' TYR . 73.4 p -53.86 143.12 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.056 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -50.89 -20.65 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 1.056 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -63.56 -51.07 66.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.27 -14.81 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.467 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 156.07 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.76 ' HB2' HG23 ' A' ' 115' ' ' THR . 37.0 p -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 1.021 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -125.89 103.1 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.9 m -65.96 88.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 135' ' ' VAL . 15.8 t -85.33 149.19 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.475 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -141.67 170.32 15.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -129.31 163.64 25.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 126' ' ' VAL . 1.2 t -165.66 128.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.707 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . 44.17 36.1 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 11.2 t-20 89.33 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.615 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -58.96 -179.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -125.83 121.21 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 91.0 t -58.13 111.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.789 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -79.3 -42.64 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.2 t -165.43 106.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.33 164.76 12.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.412 ' HA3' ' HG3' ' A' ' 109' ' ' PRO . . . 86.65 14.92 64.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.956 HG13 HG13 ' A' ' 22' ' ' VAL . 1.8 t -87.36 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 41.2 m -37.29 112.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.558 HG23 ' CG2' ' A' ' 152' ' ' VAL . 1.4 p -79.42 -101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -109.24 -83.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 150' ' ' ALA . 0.7 OUTLIER -110.81 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 149' ' ' ASN . . . 175.27 150.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 1.013 ' HB ' HG23 ' A' ' 67' ' ' THR . 42.5 m -81.94 172.41 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' A' ' 147' ' ' THR . 1.5 t -132.23 124.3 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.716 ' CE2' HG21 ' A' ' 151' ' ' THR . 67.6 m-85 -135.51 81.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.564 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 11.8 mtm -58.28 147.0 32.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.5 167.13 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -103.5 32.48 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.615 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -161.37 151.76 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 158' ' ' VAL . 56.1 t -75.22 14.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.871 HD21 HG12 ' A' ' 135' ' ' VAL . 13.7 mt 51.43 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.76 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 84.1 139.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.06 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.0 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.479 HG21 ' CB ' ' A' ' 109' ' ' PRO . 6.7 m -120.62 127.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.37 154.62 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -174.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -64.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -45.18 -40.55 7.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -28.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.2 -74.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -44.97 -52.93 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 40.2 t80 -37.82 -65.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.68 -46.71 7.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.58 -40.08 37.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.85 -48.2 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -121.45 86.27 43.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 p -128.24 146.89 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -165.99 25.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -27.44 10.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.875 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -89.26 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -122.19 177.19 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.027 HG13 HG13 ' A' ' 145' ' ' VAL . 42.8 t -68.68 -22.73 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -99.64 -46.49 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.52 -23.15 8.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.664 ' SD ' HG12 ' A' ' 145' ' ' VAL . 14.5 ptp -90.58 -13.04 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.452 ' HA ' ' C ' ' A' ' 147' ' ' THR . 30.7 t -76.52 -50.15 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.32 -22.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -110.93 166.52 10.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 18.4 Cg_endo -75.0 161.39 38.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.9 p -38.23 -31.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -66.64 -96.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 32' ' ' VAL . 17.4 t -37.5 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' MET . . . -40.44 -41.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -87.09 -34.23 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.6 t -57.07 -15.74 5.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -81.33 -40.5 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -68.9 134.03 90.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -170.053 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.875 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.03 3.67 5.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 2.8 mt-10 -117.68 -2.63 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 154' ' ' MET . 68.6 mt -114.93 -29.77 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.5 -33.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.2 m -69.4 -54.15 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.884 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.95 -56.89 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.67 ' HA ' HD11 ' A' ' 47' ' ' LEU . 24.8 m -46.17 -56.06 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -44.14 -39.79 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.72 -69.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.884 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.16 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.661 ' HA ' HG23 ' A' ' 58' ' ' VAL . 2.5 t -43.29 -70.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.3 -21.1 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.5 mt-30 -45.38 -23.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.96 -45.05 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.879 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.25 90.8 17.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.99 22.62 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.48 3.06 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.879 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -149.95 145.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.0 p30 -145.85 93.5 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 99' ' ' THR . 7.0 mp -84.65 -19.81 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 48' ' ' SER . 3.5 t -40.53 -61.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.85 -35.88 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 57' ' ' LEU . 28.2 m -75.21 -65.95 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' HG13 ' A' ' 30' ' ' VAL . 19.1 mt -35.73 -34.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.534 ' ND2' ' HB2' ' A' ' 29' ' ' PRO . 12.7 m120 -88.11 48.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 2.5 t -107.01 -93.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.634 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.49 -175.54 15.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -48.43 104.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -110.5 -176.27 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 1.022 HG23 ' HB ' ' A' ' 151' ' ' THR . 41.4 m -152.12 89.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.0 t -54.55 143.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 14.0 m-85 -133.25 62.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.29 128.62 34.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -137.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.873 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.95 115.12 4.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 9.1 p -65.75 -173.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -73.72 -3.81 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.01 -18.05 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' LYS . . . -82.18 -55.21 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 64.8 m-85 -68.19 -34.62 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -55.63 -31.01 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' LEU . 10.8 mtpp -59.88 -72.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.767 ' H ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -38.69 157.56 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 139.91 24.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.56 -43.37 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -58.26 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -51.71 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.461 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.2 mm -57.14 -47.12 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.13 -14.13 33.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.13 -37.53 14.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.563 ' HB3' HD13 ' A' ' 94' ' ' LEU . 3.7 mt -68.52 -8.86 45.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' CE ' HG22 ' A' ' 84' ' ' ILE . 9.2 mtmt -94.02 28.54 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 90' ' ' ASN . 1.2 t -170.54 -40.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.553 ' ND2' HD23 ' A' ' 87' ' ' LEU . 92.8 m-20 -35.8 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.417 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER 70.0 11.92 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 m -136.45 -44.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -26.06 20.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.911 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -80.2 -46.43 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.43 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.7 t -48.08 -47.29 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.487 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -51.3 -38.58 53.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.938 HG22 HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -68.55 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.938 HD23 HG22 ' A' ' 97' ' ' ILE . 1.4 mt -41.45 -60.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.558 HG23 HD21 ' A' ' 57' ' ' LEU . 20.9 p -48.66 -47.69 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.663 ' CE2' ' O ' ' A' ' 160' ' ' MET . 8.8 t80 -64.66 -14.47 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.759 ' NE2' ' C ' ' A' ' 158' ' ' VAL . 8.2 m-70 -93.29 15.22 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.923 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.9 t -143.98 147.87 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.633 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 61.1 t -132.59 133.7 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 94.47 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 146.86 108.39 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.8 110.0 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 110.302 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.809 HG21 ' NH2' ' A' ' 116' ' ' ARG . 38.0 m -126.79 136.6 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.595 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 3.4 p -68.25 163.31 53.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.479 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.96 46.33 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -148.94 17.61 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.9 m-80 -152.64 -50.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.595 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -32.27 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.841 HG13 ' HA ' ' A' ' 127' ' ' THR . 98.1 t -47.68 146.7 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.43 -112.0 2.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 51.1 m -151.41 108.01 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.809 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.8 -174.01 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.27 102.37 7.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.501 HG21 ' CD1' ' A' ' 100' ' ' TYR . 43.7 p -63.06 140.74 58.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.923 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -40.34 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -55.11 -59.56 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 148.58 -22.35 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.483 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -85.56 160.26 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.483 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 2.9 p -88.1 144.64 26.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 3.3 p -113.24 118.25 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -78.18 106.07 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 135' ' ' VAL . 47.4 t -100.08 154.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.841 ' HA ' HG13 ' A' ' 113' ' ' VAL . 2.4 m -146.44 168.57 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.411 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.411 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 9.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.3 OUTLIER -134.93 158.83 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 126' ' ' VAL . 1.4 t -156.91 116.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.572 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.39 41.81 32.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.0 t30 88.75 -36.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.713 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -55.73 173.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.81 120.92 37.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.28 92.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.5 t -62.32 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.4 t -143.24 105.57 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.15 161.43 12.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.44 21.81 46.68 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.027 HG13 HG13 ' A' ' 22' ' ' VAL . 1.9 t -93.97 55.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.3 m -44.43 134.67 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 6.6 p -93.8 -110.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -102.82 -40.77 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -156.36 42.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -174.02 136.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 1.022 ' HB ' HG23 ' A' ' 67' ' ' THR . 85.7 m -75.11 170.34 16.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -136.69 127.45 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -137.02 86.47 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.627 ' HG2' HD21 ' A' ' 40' ' ' LEU . 46.0 mtm -67.15 115.94 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.713 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -105.54 178.17 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.451 ' O ' ' OG ' ' A' ' 157' ' ' SER . 10.5 p-10 -112.84 45.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.657 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -172.15 125.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.759 ' C ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -68.23 16.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.657 ' H ' ' C ' ' A' ' 157' ' ' SER . 37.9 mt 34.52 -158.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.663 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 171.46 143.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.487 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 136.78 20.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CD1' ' SG ' ' A' ' 8' ' ' CYS . 3.8 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -137.81 6.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.4 151.59 17.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -169.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.576 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.98 -45.2 5.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -46.9 -39.55 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -48.85 -57.05 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -75.17 -41.32 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.8 t80 -36.56 -65.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.89 -48.04 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -47.9 -39.07 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -85.88 -49.68 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -119.76 83.5 29.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -131.1 -161.54 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.51 -174.81 45.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.03 21.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -93.93 16.91 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.56 ' O ' ' HE3' ' A' ' 25' ' ' MET . 56.7 p -92.13 162.91 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.772 ' HB ' HG13 ' A' ' 145' ' ' VAL . 3.5 m -69.35 -12.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 26' ' ' SER . 5.3 tp60 -107.27 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -42.93 23.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE3' ' O ' ' A' ' 21' ' ' SER . 17.3 ptp -64.75 -16.97 63.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.431 ' HA ' ' C ' ' A' ' 147' ' ' THR . 8.6 t -65.27 -57.86 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.6 -21.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.549 ' OD1' HG12 ' A' ' 32' ' ' VAL . 74.4 m-20 -91.84 144.87 30.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.6 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.0 102.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.977 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 24.05 -90.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.977 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -23.63 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG12 ' OD1' ' A' ' 28' ' ' ASP . 60.8 t -37.83 -49.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -45.8 -49.51 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.522 ' CB ' HG21 ' A' ' 44' ' ' THR . 13.0 m -86.76 37.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -145.24 -43.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.915 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -48.71 134.11 13.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 173.372 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.803 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 3.32 5.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.9 mt-10 -120.95 -4.01 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.678 HD22 ' HB1' ' A' ' 70' ' ' ALA . 16.0 mt -113.5 -33.86 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.1 p -32.39 -38.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.8 m -65.49 -57.22 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.906 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.66 -47.27 80.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.666 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -48.98 -52.52 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -45.24 -37.13 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.59 -69.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.871 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.66 -63.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.764 ' HA ' HG23 ' A' ' 58' ' ' VAL . 91.1 p -41.72 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 149.33 -21.16 1.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.72 -43.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -55.04 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -129.68 128.05 22.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 5.59 3.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -106.98 3.06 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.83 142.25 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.1 p30 -164.5 105.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -111.28 -23.72 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.764 HG23 ' HA ' ' A' ' 48' ' ' SER . 22.0 t -34.8 -40.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.29 -57.08 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 76.0 m -56.78 -60.68 3.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.814 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -42.04 -34.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -91.38 55.2 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 t -172.98 109.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.04 144.27 10.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -61.88 110.32 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.485 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.3 m-30 -113.94 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.966 HG23 ' HB ' ' A' ' 151' ' ' THR . 45.1 m -150.86 87.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.666 ' CG1' ' HB2' ' A' ' 70' ' ' ALA . 76.9 t -51.09 134.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.601 ' CD2' HG23 ' A' ' 103' ' ' VAL . 9.1 m-85 -128.68 68.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.678 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -96.52 130.62 30.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -139.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.906 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 23.6 p -66.53 170.57 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.65 -23.17 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.63 -21.16 38.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -76.89 -46.92 22.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.719 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 50.4 m-85 -72.13 -39.64 68.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -57.72 -35.86 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.453 ' NZ ' ' OG ' ' A' ' 157' ' ' SER . 26.4 mtpt -52.42 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.531 HD13 HG21 ' A' ' 83' ' ' THR . 15.7 mt -47.49 151.99 1.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 142.82 28.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.35 -46.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -56.3 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.531 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -51.74 -47.66 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.5 mm -62.44 -59.37 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.73 -27.43 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 89' ' ' THR . 7.9 tp10 -75.01 -46.13 37.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' N ' HD23 ' A' ' 87' ' ' LEU . 5.0 mt -56.1 -19.69 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 20.1 mttt -90.91 10.19 27.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 86' ' ' GLU . 3.0 t -144.37 13.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 7.2 m-20 -115.38 -150.47 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 95' ' ' THR . 15.7 t 179.16 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 t -71.93 -36.13 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -69.05 -47.74 64.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.049 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 91' ' ' SER . 2.5 m -53.89 -52.61 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.563 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.5 OUTLIER -43.04 -40.09 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.85 HG22 HD23 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -67.45 -58.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.049 HD21 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -47.96 -61.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 1.066 HG22 HD22 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -47.31 -46.06 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 9.0 t80 -62.8 -19.63 64.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.688 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.5 m-70 -90.15 18.49 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -153.29 121.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.601 HG23 ' CD2' ' A' ' 69' ' ' PHE . 96.7 t -98.8 152.19 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.42 100.78 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.08 95.16 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.634 HE21 ' N ' ' A' ' 151' ' ' THR . 0.0 OUTLIER -53.63 145.02 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.712 ' HB ' HH21 ' A' ' 116' ' ' ARG . 1.3 m -166.6 144.53 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -74.62 166.01 48.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.783 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 51.39 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.52 -45.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 113' ' ' VAL . 44.6 m-20 -97.14 -33.05 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.771 HG13 HG11 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -38.16 -32.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.682 HG13 ' HA ' ' A' ' 127' ' ' THR . 62.8 t -55.59 137.19 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 170.73 18.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 111.49 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.712 HH21 ' HB ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -105.39 171.86 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -104.48 93.62 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.544 HG21 ' CD1' ' A' ' 100' ' ' TYR . 4.9 p -58.17 161.01 4.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.066 HD22 HG22 ' A' ' 99' ' ' THR . 10.0 tt -58.84 -53.58 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.463 ' CD ' ' O ' ' A' ' 120' ' ' GLN . 25.7 tp60 -42.92 -22.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 112.43 -23.0 16.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.545 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -69.44 -171.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 15.6 m -119.48 148.39 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.534 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 6.5 p -122.53 107.66 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 57.8 m -74.88 85.49 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.771 HG11 HG13 ' A' ' 112' ' ' VAL . 9.4 t -76.05 155.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.682 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -153.22 -175.52 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 4' ' ' VAL . 8.2 mp . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -137.07 155.77 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.753 ' CG1' HD11 ' A' ' 159' ' ' LEU . 1.6 t -148.25 115.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.35 43.17 19.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 21.2 t30 87.54 -26.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.779 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -64.44 169.66 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.2 OUTLIER -116.41 122.06 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.08 98.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.576 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.4 t -71.8 -56.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 t -147.29 100.3 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.0 164.14 12.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.49 56.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.772 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.5 t -94.06 55.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 52.1 m -45.95 125.03 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 5.6 p -90.39 -105.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -96.69 -64.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -139.1 32.64 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.704 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -159.47 131.65 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.966 ' HB ' HG23 ' A' ' 67' ' ' THR . 17.2 m -68.9 174.37 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.509 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -140.21 125.37 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.618 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 93.9 m-85 -137.04 88.86 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.55 ' O ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.96 109.76 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.779 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -101.74 175.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 21.4 p-10 -115.75 52.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -175.0 126.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 75' ' ' ALA . 37.4 t -71.8 69.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.753 HD11 ' CG1' ' A' ' 135' ' ' VAL . 56.1 mt -30.04 144.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.653 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -133.53 146.81 62.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.563 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.508 HG11 ' CB ' ' A' ' 109' ' ' PRO . 7.5 p -130.73 160.64 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 89.37 156.61 32.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.656 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.17 -37.9 3.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.6 OUTLIER -44.56 -28.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -81.57 -73.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 tt0 -46.68 -52.09 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ALA . 63.3 t80 -38.5 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.64 -55.01 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.83 -40.92 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.7 -48.04 15.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -122.5 79.87 46.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.01 -23.35 13.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -135.73 -167.99 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.02 -178.31 41.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.64 21.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -79.11 -21.33 46.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -55.16 165.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.143 HG22 HG13 ' A' ' 145' ' ' VAL . 11.6 t -65.25 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 20.1 tt0 -81.87 -49.86 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.0 -63.25 1.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.911 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 10.2 ptp -53.03 -21.86 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.1 p -67.08 -8.56 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -99.1 14.73 28.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 29.0 m-20 -135.46 152.64 76.84 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 98.03 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.723 HG13 ' H ' ' A' ' 31' ' ' ALA . 7.3 p 29.17 -118.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.723 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -9.43 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 35' ' ' SER . 60.1 t -34.75 -60.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.911 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.15 -67.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -44.1 -29.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.807 ' HB2' HG21 ' A' ' 44' ' ' THR . 1.4 p -78.15 44.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 35' ' ' SER . 30.5 m-80 -162.56 -37.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.842 ' O ' HG23 ' A' ' 41' ' ' THR . 5.6 m-20 -54.5 130.33 62.72 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 167.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.93 6.32 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.5 mm-40 -121.35 -9.4 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.77 HD22 ' HB1' ' A' ' 70' ' ' ALA . 12.1 mt -112.85 -20.31 11.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -45.33 -53.09 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.521 HG23 ' CD1' ' A' ' 76' ' ' PHE . 12.9 t -54.55 -37.36 65.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.893 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.68 -42.64 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.807 HG21 ' HB2' ' A' ' 35' ' ' SER . 1.4 m -50.43 -56.66 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.17 -36.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.06 -70.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.893 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.25 -61.3 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.493 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -44.34 -69.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 152.58 -20.87 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 25.5 mt-30 -37.02 -33.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -79.29 -50.84 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -137.03 131.23 17.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 6.4 3.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.33 3.64 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.635 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.7 t -125.1 127.53 72.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.591 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.4 p30 -151.82 79.7 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.843 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -90.86 -6.19 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.4 t -59.69 -29.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -51.78 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' LEU . 2.7 m -62.97 -58.63 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -34.07 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.442 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 9.2 t-20 -82.28 51.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -108.72 -93.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -110.93 176.24 18.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 15.6 mt-30 -48.95 106.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 11.1 m-30 -114.17 -171.94 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.876 HG23 ' HB ' ' A' ' 151' ' ' THR . 22.9 m -150.05 86.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.719 HG12 ' HB2' ' A' ' 70' ' ' ALA . 53.7 t -51.22 134.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.642 ' HE1' HG21 ' A' ' 135' ' ' VAL . 8.4 m-85 -125.31 68.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.77 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -93.62 127.83 44.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -140.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.737 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.0 113.09 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 155' ' ' ILE . 40.6 p -53.39 174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' HA ' HG21 ' A' ' 42' ' ' THR . 6.9 p30 -65.24 -37.35 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.37 -14.35 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -76.06 -47.8 23.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 45.6 m-85 -70.4 -50.14 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -43.06 -52.76 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.8 mtmp? -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.495 HD11 ' HB ' ' A' ' 158' ' ' VAL . 17.9 mt -47.08 146.48 2.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.99 141.68 26.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.4 -43.52 2.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.0 p -49.05 -43.55 40.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.59 -47.6 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.23 -45.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -17.53 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 89' ' ' THR . 1.5 tp10 -85.36 -43.03 14.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' O ' HD22 ' A' ' 94' ' ' LEU . 6.8 mt -58.68 -17.99 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 10.5 mttt -90.88 24.82 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 86' ' ' GLU . 9.0 t -170.0 32.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 91' ' ' SER . 97.5 m-20 -115.18 -87.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 m 85.73 -4.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.49 -41.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -88.68 -24.71 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.036 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -43.13 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -54.56 -52.65 61.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.581 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -45.92 -35.36 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.914 HG22 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -70.31 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.036 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -47.83 -56.92 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.566 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 17.0 p -48.75 -49.68 37.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.88 ' CD1' HG21 ' A' ' 118' ' ' THR . 11.0 t80 -62.54 -16.29 55.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.691 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.7 m-70 -91.01 20.37 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -158.11 122.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.903 HG22 ' HA ' ' A' ' 118' ' ' THR . 8.7 t -100.82 154.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.28 102.97 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 130.52 81.18 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -32.85 137.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.5 m -150.87 153.27 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.412 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.9 p -97.36 167.66 11.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.508 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 50.47 2.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -140.3 -46.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -100.42 -30.69 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -45.45 -27.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.724 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.6 p -58.47 147.0 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.95 -176.85 23.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.8 m -75.59 93.62 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.542 ' CB ' HG23 ' A' ' 124' ' ' VAL . 6.0 mmp_? -81.93 175.78 10.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -122.89 96.56 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.925 HG23 HG22 ' A' ' 124' ' ' VAL . 1.8 p -58.45 157.67 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.978 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -66.08 -20.89 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.978 ' N ' HD23 ' A' ' 119' ' ' LEU . 33.5 tp60 -68.7 -15.63 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.91 1.77 56.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.728 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -98.76 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 m -106.7 151.07 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.925 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -124.1 109.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 125' ' ' THR . 2.8 m -67.99 65.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 124' ' ' VAL . 3.1 t -60.05 148.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.724 ' HA ' HG23 ' A' ' 113' ' ' VAL . 20.1 m -156.42 175.24 14.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.528 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.69 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.7 mtpt -139.32 161.83 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.989 ' CG1' HD11 ' A' ' 159' ' ' LEU . 1.1 t -156.7 114.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.08 -51.96 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.542 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -175.96 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.823 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -64.3 165.46 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.427 ' OD2' ' CG ' ' A' ' 156' ' ' ASP . 7.0 m-20 -103.95 122.22 44.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.69 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 53.4 t -63.68 124.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 72' ' ' THR . 2.7 t -92.13 -54.55 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 36.9 t -152.69 109.11 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 159.52 13.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.36 20.07 46.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.143 HG13 HG22 ' A' ' 22' ' ' VAL . 2.0 t -89.28 58.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 46.7 m -45.0 127.81 6.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.756 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.5 p -92.43 -100.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -106.29 -62.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -135.28 38.22 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -170.27 145.88 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.876 ' HB ' HG23 ' A' ' 67' ' ' THR . 22.9 m -80.39 178.38 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.617 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -143.45 127.2 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.496 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.1 m-85 -134.81 90.51 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.4 mtm -61.26 142.47 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 72' ' ' THR . 0.3 OUTLIER -135.97 169.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.8 p-10 -111.24 39.46 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.823 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -165.47 144.94 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 158' ' ' VAL . 54.6 t -80.32 71.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.989 HD11 ' CG1' ' A' ' 135' ' ' VAL . 12.2 mt -26.38 137.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.684 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -128.89 146.29 59.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.581 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 136.11 20.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.728 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.46 1.768 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.664 ' N ' HD22 ' A' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 109' ' ' PRO . 16.6 m -131.57 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.53 15.2 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -54.72 -42.9 79.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -41.17 -57.59 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.52 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 3.1 tt0 -43.81 -58.52 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 14' ' ' ALA . 70.5 t80 -38.29 -60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.85 -42.26 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -59.85 -45.13 93.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.46 -45.28 84.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.862 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 55.5 m-80 -125.02 74.39 66.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 18' ' ' GLY . 16.7 p -114.27 -19.85 11.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.536 ' C ' ' HG ' ' A' ' 21' ' ' SER . . . -46.51 175.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.28 11.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.862 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -79.67 1.41 26.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.536 ' HG ' ' C ' ' A' ' 18' ' ' GLY . 1.3 m -79.23 177.58 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.575 HG12 HG13 ' A' ' 145' ' ' VAL . 1.3 m -71.57 -37.87 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.16 -35.95 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.96 -29.03 71.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.616 ' CG ' HG22 ' A' ' 147' ' ' THR . 21.6 ptp -94.89 -10.19 31.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 147' ' ' THR . 9.2 t -77.17 -10.26 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.49 -21.21 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 2.2 m-20 -104.36 165.27 13.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.06 135.62 19.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.652 ' CG1' ' HB3' ' A' ' 150' ' ' ALA . 1.5 m -19.25 -52.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.881 ' CB ' HG23 ' A' ' 58' ' ' VAL . . . -43.23 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.737 HG12 ' ND2' ' A' ' 36' ' ' ASN . 6.0 t -46.44 -40.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.693 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -47.1 -23.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.806 ' C ' HG21 ' A' ' 44' ' ' THR . . . -105.56 -24.11 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.595 ' N ' HG21 ' A' ' 44' ' ' THR . 1.1 t -74.84 1.62 12.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.737 ' ND2' HG12 ' A' ' 32' ' ' VAL . 22.9 m-80 -113.31 -39.9 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 1.002 ' O ' HG23 ' A' ' 41' ' ' THR . 4.6 m-20 -52.92 130.01 48.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.791 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 4.72 4.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm-40 -121.64 -4.52 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.708 HD22 ' HB1' ' A' ' 70' ' ' ALA . 16.6 mt -114.24 -33.19 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.002 HG23 ' O ' ' A' ' 37' ' ' ASN . 5.9 p -32.83 -39.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.4 m -66.84 -56.23 11.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.892 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.26 -53.38 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.806 HG21 ' C ' ' A' ' 34' ' ' ALA . 7.4 p -46.41 -64.24 0.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -34.78 -40.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.16 -72.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.749 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -47.96 -60.23 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.0 p -37.66 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.578 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.03 -19.46 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.11 -55.24 18.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.611 HD21 ' HE2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -75.4 -46.64 31.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.754 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -110.56 95.44 22.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.99 15.75 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.6 mt-30 -128.75 5.36 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.901 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -122.41 178.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 8.2 p30 175.91 123.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 60' ' ' THR . 81.6 mt -136.7 -43.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.881 HG23 ' CB ' ' A' ' 31' ' ' ALA . 1.3 p -26.41 -70.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.745 ' H ' HG13 ' A' ' 58' ' ' VAL . 9.6 m-20 -36.14 -51.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.617 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.4 m -67.81 -62.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' CD2' HG21 ' A' ' 102' ' ' VAL . 85.0 mt -35.22 -36.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.68 ' OD1' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-20 -86.2 51.61 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 2.1 m -175.88 107.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.77 126.92 5.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 9.9 mt-30 -47.0 107.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 8.4 m-30 -114.97 179.47 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.748 HG23 ' HB ' ' A' ' 151' ' ' THR . 4.0 m -144.97 87.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.859 HG12 ' HB2' ' A' ' 70' ' ' ALA . 18.3 t -53.72 127.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.656 ' HE1' HG21 ' A' ' 135' ' ' VAL . 11.0 m-85 -116.36 66.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.859 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.12 129.28 37.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -140.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.892 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 155' ' ' ILE . 72.9 p -58.21 168.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -24.19 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.95 51.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.75 -47.23 40.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.682 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 34.9 m-85 -65.68 -38.74 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -43.62 67.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -44.25 -66.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.69 150.22 0.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.18 41.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -56.57 -56.38 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ALA . 8.4 m -38.09 -47.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.63 66.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.7 HG22 ' HE3' ' A' ' 88' ' ' LYS . 40.9 mm -57.72 -44.22 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.63 43.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.34 -35.97 12.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.5 mt -68.28 -15.33 63.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 84' ' ' ILE . 55.1 mttt -91.77 31.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 90' ' ' ASN . 5.0 t -171.97 -38.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.553 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.8 m-20 -38.36 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 2.2 t 88.63 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -105.62 29.7 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.522 HD23 ' CG ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -162.94 -43.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.901 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.23 -42.9 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.475 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.9 OUTLIER -48.73 -46.81 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.576 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.0 OUTLIER -51.55 -41.88 61.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG22 HD23 ' A' ' 98' ' ' LEU . 2.0 mt -63.07 -61.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.819 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -46.74 -53.12 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.542 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.4 p -52.79 -50.15 64.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.747 ' CE1' HG13 ' A' ' 124' ' ' VAL . 7.6 t80 -63.85 -10.57 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.802 ' CE1' HD11 ' A' ' 155' ' ' ILE . 20.5 m-70 -95.83 22.29 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -157.22 132.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 118' ' ' THR . 5.7 t -113.14 166.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.44 111.86 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 155.82 -53.38 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.455 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.31 101.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 111' ' ' ASN . 38.3 m -131.11 139.67 49.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.585 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.7 p -67.17 164.97 31.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.609 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.04 46.49 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -152.33 19.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.6 m-20 -153.05 -50.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.21 -40.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.575 HG13 ' HA ' ' A' ' 127' ' ' THR . 73.2 t -38.98 154.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.94 -122.44 7.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 m -136.17 115.58 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.54 ' HD3' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -109.45 166.59 10.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -112.5 99.65 8.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.854 HG23 HG22 ' A' ' 124' ' ' VAL . 4.1 p -58.73 146.43 36.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.051 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -49.51 -26.23 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 1.051 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -60.87 -50.46 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.12 -19.29 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.595 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -83.18 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 67.6 m -97.1 157.21 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.854 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -126.59 106.82 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -74.98 88.94 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.006 HG22 HG22 ' A' ' 135' ' ' VAL . 31.9 t -83.95 148.05 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.575 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -153.83 -174.72 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -132.45 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.006 HG22 HG22 ' A' ' 126' ' ' VAL . 1.2 t -151.33 112.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.92 -54.76 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 135' ' ' VAL . 2.7 t30 -168.01 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.857 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -61.63 170.24 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.53 123.51 47.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.55 134.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.461 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -107.9 -47.22 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.9 t -154.96 99.46 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.09 173.52 16.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.14 16.1 80.94 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.575 HG13 HG12 ' A' ' 22' ' ' VAL . 1.8 t -83.21 52.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 69.1 m -39.59 132.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.693 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 2.6 p -103.18 -109.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.68 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.428 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -121.59 37.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.652 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -170.94 164.47 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.748 ' HB ' HG23 ' A' ' 67' ' ' THR . 19.8 m -100.8 -178.01 3.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.669 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -145.57 128.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.529 ' OH ' ' O ' ' A' ' 107' ' ' THR . 73.7 m-85 -137.88 90.13 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.496 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -62.36 138.78 58.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.802 HD11 ' CE1' ' A' ' 101' ' ' HIS . 8.5 pt -130.42 165.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' A' ' 157' ' ' SER . 19.7 p-10 -110.24 45.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.857 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -172.54 133.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 159' ' ' LEU . 71.1 t -75.33 80.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.606 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -38.37 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 7.3 mtp -148.27 146.7 23.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.576 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 127.24 10.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.759 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.595 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.696 ' CD1' HG21 ' A' ' 22' ' ' VAL . 3.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 143' ' ' GLY . 7.8 p -124.13 173.95 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.552 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.38 151.07 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -75.04 -66.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.774 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.52 -45.16 2.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.51 -40.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -56.9 -50.18 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.3 t80 -35.74 -65.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.3 -58.0 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -39.5 -43.69 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -51.25 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -122.35 81.53 45.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.94 -24.74 12.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -133.53 -159.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 81.31 175.22 49.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.819 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -81.55 -44.26 17.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -49.92 178.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.773 HG22 HG13 ' A' ' 145' ' ' VAL . 65.1 t -62.89 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.22 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -62.04 -63.24 4.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 16.9 ptp -59.99 -11.98 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 1.4 t -66.08 -49.91 65.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.27 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.88 155.29 41.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.06 148.93 35.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 3.5 p -26.96 -50.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.98 ' HB1' HG23 ' A' ' 58' ' ' VAL . . . -48.34 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -45.13 -44.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 147' ' ' THR . . . -45.99 -38.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -91.0 -26.74 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -4.09 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -100.32 -46.49 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.754 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -46.53 132.31 8.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -174.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.819 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.97 2.07 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.2 mm-40 -122.08 -2.77 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 16.5 mt -114.2 -32.8 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -35.04 -42.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.518 HG23 ' CD1' ' A' ' 76' ' ' PHE . 6.1 t -60.92 -53.45 57.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.852 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.19 -41.1 92.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.499 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 16.9 m -49.8 -62.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.13 -38.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.42 -69.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.749 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -54.85 -59.37 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.526 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 5.9 p -38.64 -61.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 139.03 -23.22 2.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 mt-30 -38.61 -45.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD21 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -61.17 -61.07 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.469 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -123.27 130.59 24.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 4.91 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -108.66 1.06 20.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.91 146.56 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -168.41 92.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 60' ' ' THR . 9.3 mp -100.72 -37.27 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.98 HG23 ' HB1' ' A' ' 31' ' ' ALA . 6.2 p -31.95 -58.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.564 ' H ' HG13 ' A' ' 58' ' ' VAL . 3.9 m-20 -48.75 -52.7 22.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.3 m -61.84 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.659 HD22 HG11 ' A' ' 102' ' ' VAL . 15.4 mt -30.0 -44.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' THR . 8.0 t-20 -81.8 53.36 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' THR . 67.7 m -166.66 109.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 85.42 131.46 2.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -44.14 108.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.802 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.6 m-30 -114.84 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.986 HG23 ' HB ' ' A' ' 151' ' ' THR . 80.1 m -153.87 89.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.865 HG12 ' HB2' ' A' ' 70' ' ' ALA . 5.3 t -53.65 144.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.431 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 6.8 m-85 -132.26 63.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.865 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.59 131.18 27.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -135.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.852 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.98 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.57 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.6 p -60.43 177.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 10.4 m120 -61.66 -42.01 98.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.07 -18.34 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -75.98 -46.98 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 42.5 m-85 -75.13 -45.82 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -43.99 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 3.6 mtmp? -44.87 -61.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 HG11 ' A' ' 158' ' ' VAL . 21.9 mt -45.87 145.9 2.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.78 -50.19 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.94 -51.45 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.963 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.51 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.91 -47.8 81.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.404 HG22 ' CE ' ' A' ' 88' ' ' LYS . 34.9 mm -62.02 -51.85 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -21.18 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 7.7 tp10 -80.88 -41.76 22.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.692 ' O ' HD21 ' A' ' 51' ' ' LEU . 6.6 mt -61.39 -24.86 66.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 24.8 mttt -84.02 9.45 12.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 p -139.71 10.09 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.498 ' ND2' HD23 ' A' ' 93' ' ' LEU . 19.0 m-20 -109.96 -154.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 95' ' ' THR . 12.8 p 173.64 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -37.58 7.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.042 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.498 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -74.48 -38.62 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.067 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.73 -42.67 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.464 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.5 m -54.04 -53.09 57.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.464 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -44.62 -40.61 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.95 HG22 HD23 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -64.26 -64.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.067 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.79 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.894 ' HA ' HD21 ' A' ' 119' ' ' LEU . 6.8 p -48.85 -52.4 24.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.734 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -56.73 -17.7 9.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.693 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.4 m-70 -93.66 26.27 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.659 HG11 HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -148.14 159.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 118' ' ' THR . 3.0 t -143.34 134.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.47 105.29 17.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.47 91.27 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -44.85 126.62 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.467 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 55.9 m -136.86 143.51 43.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 p -81.44 161.7 61.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 51.58 2.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -140.71 -45.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 113' ' ' VAL . 24.8 m-20 -96.33 -30.52 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.94 -24.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.0 p -67.0 145.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.09 -110.45 2.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.6 m -136.65 104.6 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 116' ' ' ARG . 3.2 mmp_? -100.34 165.54 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -109.13 114.36 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.644 ' HA ' HG22 ' A' ' 103' ' ' VAL . 23.1 p -75.31 151.86 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.894 HD21 ' HA ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -62.62 -11.29 16.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.824 ' N ' HD23 ' A' ' 119' ' ' LEU . 8.8 tp60 -73.91 -34.26 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.11 -17.01 8.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 118' ' ' THR . . . -90.44 173.06 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 m -104.33 142.75 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.531 ' CG2' HG13 ' A' ' 135' ' ' VAL . 2.2 p -116.44 109.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -73.08 99.15 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 135' ' ' VAL . 17.1 t -91.44 158.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.65 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -153.8 177.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.441 HD12 ' CG2' ' A' ' 4' ' ' VAL . 5.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -125.12 156.45 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.557 HG22 HG13 ' A' ' 126' ' ' VAL . 8.8 t -138.25 102.19 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.06 -49.99 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -167.6 -37.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.813 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -61.86 174.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.33 112.52 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 135' ' ' VAL . 21.7 t -52.2 98.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.774 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.69 -57.83 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 13.1 t -144.31 107.38 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.753 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -114.93 160.98 12.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.03 16.62 55.71 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.773 HG13 HG22 ' A' ' 22' ' ' VAL . 1.8 t -87.62 64.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.1 m -57.28 123.78 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 10.8 p -81.8 -107.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -105.5 -40.78 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -156.28 37.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.715 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -168.63 134.22 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.986 ' HB ' HG23 ' A' ' 67' ' ' THR . 53.4 m -78.58 170.05 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.1 t -140.12 129.28 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.674 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 86.4 m-85 -133.13 85.82 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -59.54 141.47 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.2 pp -136.68 169.97 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.471 ' O ' ' OG ' ' A' ' 157' ' ' SER . 8.6 p-10 -113.26 52.56 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.813 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -173.13 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 158' ' ' VAL . 55.3 t -74.52 69.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.626 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -33.41 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.734 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.5 mtt -136.71 146.01 53.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.464 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 123.51 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.6 mm? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 143' ' ' GLY . 32.2 m -118.3 136.13 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.45 152.59 9.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -45.58 -42.62 10.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -43.84 -28.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -69.7 -65.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -62.14 -50.99 69.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 72.4 t80 -37.88 -66.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.57 -48.96 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -52.01 -43.73 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.36 -49.88 30.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -118.09 82.22 17.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.09 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 -162.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.451 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.08 -177.64 54.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -11.7 21.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.47 28.66 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' MET . 86.0 p -111.99 178.62 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.988 HG22 HG13 ' A' ' 145' ' ' VAL . 37.1 t -74.31 -43.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 18.7 pt20 -84.79 -49.69 8.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 23' ' ' GLN . . . -46.88 -38.61 10.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.79 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.5 ptp -79.58 -20.11 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.2 OUTLIER -60.39 -32.79 71.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.01 -0.49 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.2 m-20 -111.22 144.68 30.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.02 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.694 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.1 p 31.52 -120.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.54 -71.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.9 t -34.04 -61.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.79 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -39.36 -67.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -50.1 -29.62 9.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.69 ' CB ' HG21 ' A' ' 44' ' ' THR . 1.5 p -77.61 44.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 34' ' ' ALA . 23.0 m-80 -163.92 -38.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.947 ' O ' HG23 ' A' ' 41' ' ' THR . 3.7 m-20 -51.42 131.34 34.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 170.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.835 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.94 3.93 5.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.443 1.759 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -119.97 -7.5 9.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 34' ' ' ALA . 36.3 mt -110.76 -31.07 7.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.947 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.4 p -35.17 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.5 m -64.59 -55.63 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.819 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.97 -42.44 98.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.69 HG21 ' CB ' ' A' ' 35' ' ' SER . 51.9 m -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.7 -35.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.51 -69.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -52.59 -59.8 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.489 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 3.0 p -37.93 -60.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 135.82 -19.63 3.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.04 -50.98 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.492 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -59.97 -64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 89' ' ' THR . 0.5 OUTLIER -112.07 126.31 28.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 3.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -112.8 5.73 17.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.665 HG21 ' CD2' ' A' ' 94' ' ' LEU . 38.7 t -117.89 147.42 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -170.7 94.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.5 mm? -94.76 -48.77 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -24.7 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.77 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.3 t70 -32.86 -50.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.595 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.8 m -63.8 -72.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.452 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.954 HD22 HG21 ' A' ' 102' ' ' VAL . 16.3 mt -38.11 -36.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -80.43 49.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -136.07 -82.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.574 ' O ' ' CD2' ' A' ' 66' ' ' TYR . . . -96.62 173.61 29.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -64.44 133.44 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.279 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.803 ' HB3' HG23 ' A' ' 102' ' ' VAL . 59.6 m-85 -139.18 177.63 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.833 HG23 ' HB ' ' A' ' 151' ' ' THR . 19.5 m -142.95 87.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.924 HG12 ' HB2' ' A' ' 70' ' ' ALA . 43.4 t -52.4 129.41 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.642 ' CE1' HG21 ' A' ' 135' ' ' VAL . 13.8 m-85 -120.1 71.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.924 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.13 125.22 42.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -136.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.819 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 155' ' ' ILE . 20.7 p -52.89 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -9.0 59.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.62 -14.68 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.612 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -74.22 -32.15 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.81 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.4 m-85 -85.62 -37.57 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 t -59.51 -26.83 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -53.71 -45.98 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.42 157.02 89.13 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.56 26.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.57 -35.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -52.49 57.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -45.8 90.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.747 HG22 ' CE ' ' A' ' 88' ' ' LYS . 36.1 mm -63.28 -46.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -12.67 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.88 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' HD21 ' A' ' 51' ' ' LEU . 6.2 mt -58.93 -19.69 44.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.747 ' CE ' HG22 ' A' ' 84' ' ' ILE . 12.4 mttt -89.97 25.79 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.565 ' N ' HD21 ' A' ' 52' ' ' ASN . 9.1 t -174.16 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.6 m-20 -119.92 -75.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.416 ' CB ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER 73.64 6.02 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.73 -57.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.944 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -76.75 -17.55 59.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.957 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -87.03 -51.33 6.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 55' ' ' VAL . 3.0 m -49.75 -45.97 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.475 ' HB2' ' CG ' ' A' ' 161' ' ' PRO . 85.6 p -49.53 -44.64 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.959 HG22 HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -63.86 -60.84 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.959 HD23 HG22 ' A' ' 97' ' ' ILE . 1.4 mt -42.21 -62.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.485 HG22 HD11 ' A' ' 119' ' ' LEU . 4.7 p -49.26 -45.25 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.658 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.2 t80 -66.98 -7.4 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.681 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.3 m-70 -103.1 22.44 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.954 HG21 HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -158.08 115.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.578 HG11 ' HG2' ' A' ' 116' ' ' ARG . 89.4 t -99.58 124.73 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' TYR . . . -80.66 114.68 19.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 156.51 -49.0 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 81.4 119.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.72 HG21 ' NH2' ' A' ' 116' ' ' ARG . 20.2 m -148.96 143.11 25.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 112' ' ' VAL . 60.2 p -74.13 163.04 71.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -74.98 48.1 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.61 19.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.565 ' O ' ' C ' ' A' ' 112' ' ' VAL . 23.6 m-20 -154.46 -51.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.565 ' C ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -27.22 -45.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 127' ' ' THR . 6.8 p -40.07 145.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.07 -112.97 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.4 m -152.99 102.65 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.72 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -95.07 -168.55 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.67 104.73 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.53 HG21 ' CD1' ' A' ' 100' ' ' TYR . 43.0 p -59.76 167.71 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.68 HD23 HG13 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -67.1 -25.52 66.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.2 tp60 -60.65 -19.82 59.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.15 -6.91 54.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.869 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -92.32 156.51 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.0 m -86.98 140.46 29.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.423 HG11 HG21 ' A' ' 103' ' ' VAL . 2.4 p -113.77 105.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.8 m -70.23 114.81 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.787 HG13 HG23 ' A' ' 135' ' ' VAL . 3.5 t -109.37 146.43 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.656 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -154.12 168.67 25.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.438 ' HB2' ' HB ' ' A' ' 140' ' ' VAL . 10.2 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 138' ' ' ALA . 13.3 mttt -135.61 157.15 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.033 ' O ' HD11 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -151.09 100.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 80.84 -27.61 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER 156.64 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -71.99 169.35 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.4 115.5 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 154' ' ' MET . 39.9 t -53.49 111.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.573 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -78.87 -45.72 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.29 104.1 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.76 166.0 12.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.1 16.44 67.26 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.988 HG13 HG22 ' A' ' 22' ' ' VAL . 1.6 t -84.17 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.6 m -40.96 124.08 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.538 ' CG2' ' CB ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -91.56 -96.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.137 . . . . 0.0 110.407 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -111.75 -78.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -116.73 24.54 11.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -156.15 155.91 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.833 ' HB ' HG23 ' A' ' 67' ' ' THR . 25.5 m -93.64 178.74 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.63 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -143.74 126.95 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.559 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 87.6 m-85 -135.27 86.27 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.557 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -55.71 147.67 18.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' THR . 0.5 OUTLIER -141.49 -171.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.71 29.99 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.851 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 19.4 m -160.86 139.27 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 158' ' ' VAL . 0.8 OUTLIER -76.12 23.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.033 HD11 ' O ' ' A' ' 135' ' ' VAL . 1.2 mp 32.95 -159.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.658 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 170.4 139.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.475 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.04 130.17 12.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.869 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 109' ' ' PRO . 27.6 m -132.66 135.25 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.94 151.49 7.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 176.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -75.02 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.48 -49.65 5.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.93 -36.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -58.88 -75.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.677 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -56.23 -51.69 67.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' ALA . 73.7 t80 -35.83 -64.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.77 -44.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.4 -50.98 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.71 -50.77 48.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -116.65 84.67 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -120.53 151.36 39.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.6 -166.87 21.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -52.01 -23.01 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.517 ' O ' ' HE3' ' A' ' 25' ' ' MET . 4.4 m -61.14 171.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.002 ' HB ' HG13 ' A' ' 145' ' ' VAL . 15.5 m -92.67 50.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -167.16 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -30.03 7.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.634 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.2 ptp -67.87 -10.99 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' C ' ' A' ' 147' ' ' THR . 12.5 t -61.26 -54.28 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.63 -20.08 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -94.13 137.99 22.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.613 ' HA ' ' HB3' ' A' ' 148' ' ' ALA . 18.3 Cg_endo -75.0 100.49 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.86 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 2.4 p 29.42 -106.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.751 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -16.46 -75.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 94.9 t -36.28 -61.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.96 -68.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.94 -29.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.732 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -81.5 46.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -154.64 -44.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 t-20 -55.36 134.73 69.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.11 3.83 5.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' C ' ' ND2' ' A' ' 73' ' ' ASN . 1.7 mm-40 -122.09 -5.12 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' ' 70' ' ' ALA . 54.6 mt -112.35 -28.91 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -38.65 -35.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -51.49 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.904 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.97 -54.04 40.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.732 HG21 ' CB ' ' A' ' 35' ' ' SER . 2.0 m -45.48 -56.1 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.66 -40.23 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.53 -71.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.709 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -47.39 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.527 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -44.04 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.09 -20.59 1.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -47.0 -22.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -110.62 -44.48 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.899 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -111.78 95.93 30.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 12.3 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 52' ' ' ASN . 6.8 mt-30 -120.89 -3.4 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.899 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -123.44 176.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.8 p30 177.77 103.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.632 ' O ' ' C ' ' A' ' 58' ' ' VAL . 4.3 mm? -102.56 -45.75 4.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.649 HG13 ' H ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -20.17 -74.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' H ' HG13 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -34.55 -58.79 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.4 m -57.82 -53.36 59.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' CD2' HG21 ' A' ' 102' ' ' VAL . 10.0 mt -40.72 -44.79 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.95 49.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' THR . 28.9 m -110.92 -91.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.19 178.62 19.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.1 mt-30 -54.63 106.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -113.3 -177.95 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.956 HG23 ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.94 89.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.083 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.9 HG12 ' HB2' ' A' ' 70' ' ' ALA . 98.8 t -55.01 132.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.688 ' CD2' HG23 ' A' ' 103' ' ' VAL . 13.3 m-85 -122.9 74.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.9 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -103.83 124.24 38.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -137.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.904 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.05 122.21 7.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 155' ' ' ILE . 8.8 p -53.58 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -85.61 -7.17 58.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.7 -13.64 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -73.96 -29.07 61.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 37.8 m-85 -91.46 -42.52 10.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -51.29 -23.17 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmp? -63.98 -31.33 72.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 158' ' ' VAL . 17.0 mt -78.83 153.54 77.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 136.77 20.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.76 -49.13 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 t -41.03 -50.79 3.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -51.54 69.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.571 HG22 ' CE ' ' A' ' 88' ' ' LYS . 35.7 mm -58.72 -53.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -48.83 -22.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 89' ' ' THR . 6.0 tp10 -88.68 -40.19 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.576 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.2 mt -65.6 -11.72 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.571 ' CE ' HG22 ' A' ' 84' ' ' ILE . 3.2 mtmp? -94.45 32.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.8 t -164.48 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.453 ' ND2' HD23 ' A' ' 87' ' ' LEU . 6.7 m-20 -60.39 172.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 p -158.6 24.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.22 -46.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -76.89 -28.36 55.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.846 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -89.05 -55.25 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -43.74 -35.88 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -61.94 -41.13 97.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.508 HG13 ' CD ' ' A' ' 161' ' ' PRO . 3.5 mt -67.66 -50.4 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.846 HD21 ' CD1' ' A' ' 94' ' ' LEU . 1.5 mt -49.6 -64.87 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 102' ' ' VAL . 31.5 p -48.02 -50.11 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.722 ' CE2' ' O ' ' A' ' 160' ' ' MET . 24.0 t80 -57.76 -19.4 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.715 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 33.4 m-70 -91.27 22.25 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -159.59 124.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.921 HG11 ' CD ' ' A' ' 116' ' ' ARG . 14.8 t -108.23 148.03 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.735 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -87.17 95.68 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.05 105.5 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.44 113.93 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.412 ' HB ' HG13 ' A' ' 112' ' ' VAL . 5.7 m -122.54 151.01 41.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.622 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 54.1 p -88.71 161.28 42.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 47.98 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -156.19 21.77 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.544 ' O ' ' N ' ' A' ' 113' ' ' VAL . 47.9 m-20 -155.69 -50.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.07 -39.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.2 t -37.9 141.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.06 -167.31 15.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 91.4 m -76.24 111.57 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.921 ' CD ' HG11 ' A' ' 103' ' ' VAL . 5.8 tpm_? -115.78 121.41 42.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.881 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.5 tt0 -79.94 113.71 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.549 ' HA ' HG13 ' A' ' 103' ' ' VAL . 5.1 p -85.75 174.33 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 104' ' ' ALA . 10.6 mt -53.94 -57.65 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -38.18 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.92 -29.41 8.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -63.79 172.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.3 129.58 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.666 ' CG2' HG13 ' A' ' 135' ' ' VAL . 9.1 p -103.98 119.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.2 m -79.03 109.92 13.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.02 HG22 HG22 ' A' ' 135' ' ' VAL . 42.3 t -102.26 148.14 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -155.16 178.66 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' A' ' 140' ' ' VAL . 10.3 mp . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 135' ' ' VAL . 4.8 mttt -134.17 161.03 36.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.02 HG22 HG22 ' A' ' 126' ' ' VAL . 1.8 t -158.65 120.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.63 44.0 6.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.9 t30 88.16 -36.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.811 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -53.55 171.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.2 m-20 -121.66 115.13 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 133' ' ' LEU . 75.3 t -57.92 118.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 72' ' ' THR . 2.1 t -92.56 -40.97 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.8 t -163.24 103.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.5 164.0 12.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.79 21.29 56.26 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.002 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.2 t -90.98 52.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 71.6 m -44.76 133.28 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.7 p -97.9 -101.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.93 -62.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -138.08 23.07 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.86 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -148.01 142.58 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.956 ' HB ' HG23 ' A' ' 67' ' ' THR . 43.2 m -84.47 172.61 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.52 ' N ' HG22 ' A' ' 151' ' ' THR . 1.3 t -138.55 128.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 151' ' ' THR . 78.8 m-85 -136.41 87.09 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.9 mtm -56.71 142.1 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.811 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 2.0 pt -137.02 173.97 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.6 p-10 -110.62 36.14 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.626 ' CA ' ' HB1' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -170.53 143.92 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.89 HG23 ' CG ' ' A' ' 160' ' ' MET . 4.2 m -76.09 37.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER 34.43 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.89 ' CG ' HG23 ' A' ' 158' ' ' VAL . 14.1 mtp 86.08 138.82 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.508 ' CD ' HG13 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 115.68 4.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.453 HD13 HG21 ' A' ' 22' ' ' VAL . 2.7 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 5' ' ' GLY . 12.0 p -109.05 165.05 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 90.37 156.18 32.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.98 -36.79 5.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -42.28 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -75.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.745 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -40.98 -53.51 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 64.9 t80 -43.76 -62.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.33 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -62.2 -43.54 98.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 -48.87 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -117.04 83.7 15.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.1 p -147.39 114.73 6.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.27 -149.85 7.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.52 5.29 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -87.11 -105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ALA . 86.9 p 39.99 -162.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.755 HG22 HG13 ' A' ' 145' ' ' VAL . 51.2 t -93.13 -25.08 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -96.72 -30.67 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.38 -23.17 59.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.482 ' CE ' HG11 ' A' ' 145' ' ' VAL . 15.8 ptp -96.7 -13.23 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -66.59 -74.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.996 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.5 mt-30 -38.21 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' SER . 67.7 m-20 -95.39 152.29 39.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.725 ' HA ' ' HB3' ' A' ' 148' ' ' ALA . 18.2 Cg_endo -75.04 157.96 42.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.648 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 1.9 p -29.95 -43.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -56.23 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.659 HG12 ' OD1' ' A' ' 36' ' ' ASN . 94.3 t -38.7 -39.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.568 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.21 -46.7 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.24 -25.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.656 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -72.09 -0.98 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.659 ' OD1' HG12 ' A' ' 32' ' ' VAL . 33.8 m120 -107.14 -38.51 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.977 ' O ' HG23 ' A' ' 41' ' ' THR . 3.5 m-20 -59.2 131.02 87.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 1.93 7.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.673 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.5 mm-40 -115.96 -3.74 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 39' ' ' GLU . 12.0 mt -119.9 -32.73 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.977 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.5 p -33.41 -37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -67.64 -56.91 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.931 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.62 -54.0 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.796 ' HA ' HD11 ' A' ' 47' ' ' LEU . 52.1 m -44.96 -62.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.2 -42.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -62.52 -72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -45.08 -64.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 1.061 ' HA ' HG23 ' A' ' 58' ' ' VAL . 1.3 p -37.25 -55.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.98 -22.21 3.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -44.09 -50.64 8.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD21 ' HZ2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -74.22 -48.86 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 1.017 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.53 99.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 11.84 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.485 ' CB ' ' CB ' ' A' ' 91' ' ' SER . 4.0 mt-30 -114.05 1.33 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.017 HG12 ' HB2' ' A' ' 52' ' ' ASN . 5.2 p -147.12 145.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.486 ' CG ' ' O ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -145.31 124.51 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 61' ' ' LEU . 44.1 mt -111.07 -30.44 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 1.061 HG23 ' HA ' ' A' ' 48' ' ' SER . 32.1 t -24.61 -66.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -46.88 -63.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' LEU . 84.8 m -52.16 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.781 HD23 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -39.0 -41.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -86.74 52.82 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 m -168.79 110.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.76 143.04 6.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.1 OUTLIER -58.96 117.84 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 5.6 m-30 -116.02 -174.02 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.975 HG23 ' HB ' ' A' ' 151' ' ' THR . 45.3 m -152.88 85.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.883 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.5 t -51.3 138.16 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.0 m-85 -127.07 64.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.883 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.47 130.23 32.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -135.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.931 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.01 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.577 HG21 HG21 ' A' ' 141' ' ' VAL . 30.3 p -57.73 172.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.06 -30.35 66.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.48 -20.98 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.28 -41.67 56.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.726 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 43.9 m-85 -78.82 -50.26 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -44.67 -25.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 76' ' ' PHE . 3.4 mtmp? -61.89 -58.15 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.418 ' HB3' HG21 ' A' ' 83' ' ' THR . 15.2 mt -55.08 152.23 14.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.86 36.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.86 53.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -47.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.418 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.17 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.908 HG22 ' HD2' ' A' ' 88' ' ' LYS . 42.1 mm -55.79 -55.9 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.95 -18.75 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' THR . 0.4 OUTLIER -86.21 -44.43 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.515 HD23 ' ND2' ' A' ' 90' ' ' ASN . 4.9 mt -63.23 -22.56 66.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.908 ' HD2' HG22 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -88.88 34.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.0 t -171.67 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.515 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.3 m-20 -43.0 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER 68.33 13.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -43.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -90.52 -27.74 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.737 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.27 -48.79 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 99' ' ' THR . 3.0 t -40.53 -45.73 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.9 -48.43 78.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.762 HG22 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -56.84 -57.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -50.35 -64.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.4 p -46.75 -43.33 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.65 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.2 t80 -68.53 -15.09 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.711 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 13.7 m-70 -95.19 19.15 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.622 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -156.09 115.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 117' ' ' GLN . 56.9 t -92.95 146.03 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.02 103.64 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.94 99.84 0.89 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 3.4 mt-30 -57.73 156.43 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.604 HG21 HH22 ' A' ' 116' ' ' ARG . 54.7 m -152.58 -102.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.8 OUTLIER 162.54 162.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 54.07 3.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.47 -45.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.43 ' C ' ' N ' ' A' ' 113' ' ' VAL . 4.3 m-20 -99.8 -37.56 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.65 HG23 ' NH2' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -42.53 -28.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.43 ' N ' ' C ' ' A' ' 111' ' ' ASN . 17.9 t -50.09 156.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.87 -172.81 54.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 45.6 m -59.49 140.76 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.367 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.897 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -149.54 122.73 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.778 ' O ' HG13 ' A' ' 103' ' ' VAL . 30.1 tt0 -71.22 126.8 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.652 ' HA ' HG22 ' A' ' 103' ' ' VAL . 77.6 p -88.21 171.92 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -65.35 -26.27 67.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.3 tp60 -72.19 -6.58 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.14 -40.48 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -54.83 -173.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 p -125.13 148.31 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.897 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.7 p -119.19 128.39 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.3 m -83.43 97.45 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.867 HG13 ' CG2' ' A' ' 135' ' ' VAL . 3.0 t -92.28 150.43 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -149.54 173.99 13.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.673 ' HB2' HG21 ' A' ' 140' ' ' VAL . 4.2 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.1 OUTLIER -135.04 159.07 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.867 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.1 t -161.1 131.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 22.99 77.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.7 m120 44.24 54.54 6.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 135' ' ' VAL . . . -149.09 164.17 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 8.5 m-20 -115.22 117.68 31.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 133' ' ' LEU . 74.0 t -61.78 109.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.638 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -79.37 -53.99 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.0 t -151.54 105.78 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.54 165.35 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.53 23.02 57.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.755 HG13 HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -94.39 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 34.2 m -49.68 135.23 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.568 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 17.1 p -93.64 -116.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -96.0 -32.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -167.3 42.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -171.22 132.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.975 ' HB ' HG23 ' A' ' 67' ' ' THR . 52.8 m -73.6 168.37 19.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.555 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.3 t -137.86 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.691 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.4 m-85 -137.52 87.69 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.489 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -61.09 138.71 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.75 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.3 pp -136.37 165.68 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.467 ' O ' ' OG ' ' A' ' 157' ' ' SER . 22.7 p-10 -109.71 52.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.627 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 3.8 m -171.38 128.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 75' ' ' ALA . 69.0 t -73.91 78.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.711 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 2.5 mp -39.05 158.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.65 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.1 mtt -146.75 143.49 18.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.491 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 119.95 5.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.53 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -121.77 111.56 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.89 153.5 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.94 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.803 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.37 -48.95 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.41 -30.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -71.07 -69.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.47 -55.53 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' GLY . 57.2 t80 -43.33 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -44.82 -58.03 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.78 -28.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -92.11 -39.92 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.6 m-80 -125.4 74.19 68.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.59 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -125.74 -150.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.14 176.38 18.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -10.71 21.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.595 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -78.76 -34.83 45.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 p -40.91 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.813 HG13 HG13 ' A' ' 145' ' ' VAL . 11.6 t -57.41 -32.68 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -94.12 -28.28 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -63.9 -30.89 79.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.695 ' HG3' HG22 ' A' ' 147' ' ' THR . 8.2 ptp -83.35 -17.05 43.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.4 OUTLIER -62.82 -31.75 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.19 -14.76 58.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -94.11 142.2 24.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.0 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.796 HG11 ' O ' ' A' ' 61' ' ' LEU . 10.9 p 31.34 -120.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.768 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.7 -69.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 35' ' ' SER . 89.1 t -33.5 -61.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.62 -68.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -50.68 -46.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.594 ' CB ' HG21 ' A' ' 44' ' ' THR . 38.5 t -57.38 -16.39 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.53 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.5 m120 -129.38 17.98 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.588 ' O ' HG23 ' A' ' 41' ' ' THR . 3.1 m-20 -89.78 129.98 44.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 146.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.621 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.03 12.54 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.758 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.6 mt-10 -120.24 -19.34 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.027 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.87 -10.61 17.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.621 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 80.9 p -36.26 -36.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' LEU . 17.1 m -67.38 -55.28 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -55.28 -47.91 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.594 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -49.91 -59.22 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.27 -37.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.752 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.21 -69.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.753 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.52 ' HA ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -37.69 -56.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.04 -20.5 4.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -42.46 -37.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -74.05 -58.86 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.867 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -123.07 132.24 24.29 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.76 21.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 54' ' ' GLN . 2.0 mp0 -98.01 -7.12 30.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.896 HG11 HD23 ' A' ' 94' ' ' LEU . 3.3 m -106.99 135.1 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.848 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -166.93 96.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.913 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -103.69 -43.48 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.749 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -19.74 -78.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.749 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -32.07 -57.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.606 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -58.86 -50.04 75.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.796 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.09 -27.58 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.86 47.6 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -165.83 109.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.13 143.9 14.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.6 mt-30 -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -111.2 -169.79 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.969 HG23 ' HB ' ' A' ' 151' ' ' THR . 95.6 m -153.73 90.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 70' ' ' ALA . 3.9 t -51.9 144.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 10.7 m-85 -135.74 65.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.867 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -102.34 128.17 28.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -136.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.801 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.02 112.55 3.59 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 35.5 p -62.61 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 3.3 p30 -76.62 -30.83 57.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.79 21.23 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.81 -38.46 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.801 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 46.0 m-85 -88.54 -27.58 21.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.31 -10.02 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -29.71 61.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt -88.22 157.13 51.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.9 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 18.0 p -50.82 -36.99 40.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -48.66 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.751 HG22 ' HE3' ' A' ' 88' ' ' LYS . 33.0 mm -60.94 -68.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ILE . 11.3 t70 -38.21 -31.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.649 ' O ' HG22 ' A' ' 89' ' ' THR . 0.9 OUTLIER -72.32 -48.1 44.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.583 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.5 mt -49.16 -33.07 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.751 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.2 28.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 86' ' ' GLU . 12.4 t -172.09 30.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.695 ' ND2' HD23 ' A' ' 93' ' ' LEU . 75.7 m-20 -119.38 -69.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p 70.56 8.42 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -44.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.695 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -87.58 -28.39 21.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.896 HD23 HG11 ' A' ' 55' ' ' VAL . 2.4 tp -74.31 -53.9 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.458 HG23 HD21 ' A' ' 57' ' ' LEU . 29.9 m -53.9 -39.59 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.573 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.6 -40.36 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 101' ' ' HIS . 2.1 mt -64.17 -62.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -40.88 -59.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 1.056 HG22 HD11 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -45.85 -52.34 11.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.854 ' CE1' HG13 ' A' ' 124' ' ' VAL . 2.0 t80 -57.92 -20.53 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.661 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 88.6 m-70 -89.88 24.28 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.845 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.1 t -154.08 136.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 117' ' ' GLN . 61.0 t -125.74 133.43 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.02 110.42 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.31 79.33 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -44.04 130.08 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.333 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.1 m -150.59 126.52 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.5 p -55.42 167.38 0.74 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.07 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -135.47 -44.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 6.3 m120 -99.07 -17.91 18.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.492 HG13 HG11 ' A' ' 126' ' ' VAL . 1.5 p -66.74 -9.98 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 110' ' ' ALA . 11.4 p -75.07 154.69 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.84 -163.36 26.95 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 m -78.21 106.47 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.525 ' CB ' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -104.05 -175.05 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.901 ' O ' HG13 ' A' ' 103' ' ' VAL . 36.3 tt0 -135.57 133.99 38.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.745 HG21 ' CD1' ' A' ' 100' ' ' TYR . 16.8 p -105.08 152.36 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 99' ' ' THR . 0.7 OUTLIER -47.5 -25.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.51 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -60.44 -51.26 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.79 -22.13 3.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 159.04 23.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 p -85.67 157.72 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.854 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -122.75 104.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.6 m -70.01 81.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.068 HG22 HG22 ' A' ' 135' ' ' VAL . 21.1 t -79.35 150.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.496 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -155.11 169.87 23.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 6.3 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -136.69 165.5 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.068 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -160.17 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.92 -80.68 1.67 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -150.22 20.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -125.04 173.39 8.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -116.8 125.53 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 97.0 t -59.72 117.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.803 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -83.19 -37.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 43.0 t -170.75 105.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.69 164.73 12.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.74 66.33 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.813 HG13 HG13 ' A' ' 22' ' ' VAL . 1.1 t -86.59 54.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 49.6 m -40.41 117.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.695 HG22 ' HG3' ' A' ' 25' ' ' MET . 21.1 p -84.03 -101.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -104.2 -76.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -124.2 42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.11 136.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.969 ' HB ' HG23 ' A' ' 67' ' ' THR . 97.6 m -69.88 171.27 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -134.52 128.01 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 82.3 m-85 -137.0 88.31 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.542 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 12.2 mtm -65.19 152.81 42.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.665 ' CA ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -144.98 -177.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.96 27.94 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.85 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -159.24 145.0 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.9 OUTLIER -77.21 21.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.963 HD21 ' CG1' ' A' ' 135' ' ' VAL . 0.1 OUTLIER 46.41 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.61 ' N ' ' O ' ' A' ' 158' ' ' VAL . 1.5 mtm 88.42 139.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.573 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 160' ' ' MET . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.465 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.2 mm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.451 HG23 HD22 ' A' ' 133' ' ' LEU . 2.8 m -125.8 118.83 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.45 148.8 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -171.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.782 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.58 -40.42 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -39.43 -31.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.01 -69.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.68 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 5.9 mt-10 -46.36 -53.08 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.5 t80 -44.07 -63.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.16 -47.96 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -41.97 -39.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.12 -44.06 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -124.79 81.08 61.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.09 7.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -131.06 -171.21 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.94 -178.4 32.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.26 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -84.46 -29.01 26.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 34.9 p -39.44 156.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.684 ' HB ' HG13 ' A' ' 145' ' ' VAL . 4.4 m -69.04 -9.26 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -113.04 -25.79 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.75 -42.2 32.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.795 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.0 ptp -59.79 -13.47 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -65.21 -38.67 91.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -69.71 -6.76 33.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.51 ' CG ' HG12 ' A' ' 32' ' ' VAL . 75.7 m-20 -103.84 142.33 24.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.96 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.708 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.3 p 35.34 -124.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.708 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -6.92 -70.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.58 -63.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.795 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.13 -67.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.702 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -49.67 -47.77 49.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.594 ' O ' HG22 ' A' ' 41' ' ' THR . 5.5 t -41.96 -32.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 7.4 m-80 -135.48 35.56 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.727 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -84.88 131.51 48.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 127.262 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 10.23 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.434 1.755 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.799 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -119.83 -16.53 8.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.035 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.84 -15.1 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -38.83 -34.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.9 m -70.1 -51.95 27.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.868 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -55.48 -49.28 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.656 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -50.37 -60.3 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.52 -37.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.04 -72.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -45.28 -61.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.555 ' HA ' HG12 ' A' ' 58' ' ' VAL . 3.9 t -44.33 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.0 -20.49 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.519 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 10.8 mt-30 -41.65 -25.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -90.58 -53.02 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.832 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -125.55 129.15 24.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 4.19 4.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -118.02 5.05 12.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.832 HG13 ' HB3' ' A' ' 52' ' ' ASN . 4.1 m -118.9 132.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.5 p30 -155.36 92.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 60' ' ' THR . 2.5 mm? -97.28 -38.59 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 59' ' ' ASP . 7.6 p -40.21 -58.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.574 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.5 m-20 -49.78 -32.72 14.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -82.55 -65.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.593 HD22 HG21 ' A' ' 102' ' ' VAL . 3.4 mt -32.18 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' THR . 1.2 m-20 -81.53 51.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.9 m -124.64 -89.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.58 172.81 25.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.8 mt-30 -63.02 110.01 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 15.5 m-30 -115.36 -168.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.977 HG23 ' HB ' ' A' ' 151' ' ' THR . 25.9 m -148.51 86.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 70' ' ' ALA . 74.4 t -49.93 136.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 103' ' ' VAL . 9.3 m-85 -129.34 67.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.766 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.91 126.39 35.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -138.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.868 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.559 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 40.8 p -53.93 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.427 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.02 -27.88 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.72 62.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -84.52 -75.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -42.51 -29.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.6 t -59.43 -51.14 71.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -43.96 -57.24 3.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.73 HD11 ' HB ' ' A' ' 158' ' ' VAL . 26.9 mt -51.7 145.73 15.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.93 156.46 43.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.88 64.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.5 -56.45 5.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -46.58 65.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.4 -45.75 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.92 -22.16 64.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.36 -44.07 18.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.617 ' O ' HD22 ' A' ' 94' ' ' LEU . 6.3 mt -58.76 -18.95 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.513 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 7.3 mttt -92.73 27.7 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -173.4 33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' OG ' ' A' ' 91' ' ' SER . 92.2 m-20 -117.89 -70.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 63.09 10.67 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.82 -43.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -92.4 -24.68 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.819 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 52.8 m -53.16 -39.57 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -58.44 -37.57 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.626 HG23 ' HD2' ' A' ' 101' ' ' HIS . 3.0 mt -67.78 -51.67 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 94' ' ' LEU . 1.4 mt -51.32 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 2.3 p -50.47 -43.25 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 160' ' ' MET . 42.9 t80 -69.98 -10.05 57.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 10.8 m-70 -99.45 16.67 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.637 HG22 HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -154.93 116.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 117' ' ' GLN . 89.5 t -92.71 151.71 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.58 33.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 112.28 90.0 1.88 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -41.43 141.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.2 m -159.18 129.28 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -66.91 167.14 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.439 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 49.2 2.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.72 -46.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -96.48 -25.48 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.501 HG13 HG11 ' A' ' 126' ' ' VAL . 1.3 p -54.69 -24.01 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.86 129.97 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.72 -162.52 12.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.421 HG23 ' HB3' ' A' ' 123' ' ' SER . 18.7 m -75.84 112.11 11.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.415 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.931 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.3 mmm180 -118.25 113.66 21.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.598 ' O ' HG13 ' A' ' 103' ' ' VAL . 16.4 tt0 -67.84 115.77 7.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.491 HG22 HG22 ' A' ' 103' ' ' VAL . 60.4 p -76.05 147.04 38.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.637 HD23 HG22 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.49 -30.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 118' ' ' THR . 0.5 OUTLIER -58.41 -57.81 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.37 -25.67 1.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -74.3 -173.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.421 ' HB3' HG23 ' A' ' 115' ' ' THR . 0.7 OUTLIER -121.74 139.73 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.931 HG12 ' O ' ' A' ' 116' ' ' ARG . 6.2 p -115.02 111.41 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -76.55 100.49 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.702 HG13 HG22 ' A' ' 135' ' ' VAL . 5.3 t -91.94 149.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.454 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -151.53 -176.95 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.955 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.549 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 9.5 mp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.86 161.34 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.702 HG22 HG13 ' A' ' 126' ' ' VAL . 2.3 t -150.58 111.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 60.87 -78.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -149.65 21.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.681 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -118.36 175.53 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -116.97 117.03 28.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.549 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 79.0 t -57.15 104.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.782 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -71.52 -44.66 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.8 t -164.58 106.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.34 167.13 12.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.46 24.4 58.92 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.684 HG13 ' HB ' ' A' ' 22' ' ' VAL . 3.0 t -99.2 56.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 16.1 m -40.92 116.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.593 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.2 p -78.94 -95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -115.18 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -121.23 42.75 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.535 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . 179.95 141.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.977 ' HB ' HG23 ' A' ' 67' ' ' THR . 46.8 m -72.98 173.42 9.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.487 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -135.72 126.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.578 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 76.2 m-85 -136.97 82.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.559 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.6 mtm -60.65 144.29 52.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.681 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.5 OUTLIER -133.15 175.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -117.11 39.8 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 16.8 m -167.37 141.06 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.73 ' HB ' HD11 ' A' ' 79' ' ' LEU . 94.0 t -77.64 74.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -35.87 153.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.699 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 14.3 mtt -145.14 148.83 39.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.449 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 122.54 7.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.663 ' CD1' HG11 ' A' ' 22' ' ' VAL . 1.7 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 143' ' ' GLY . 14.1 p -135.54 166.32 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 87.8 157.32 31.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 176.29 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.98 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.526 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.45 -34.2 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.4 OUTLIER -43.6 -54.91 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -55.65 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -37.74 -47.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 81.4 t80 -57.16 -55.19 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.92 -42.97 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -57.22 -35.22 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.91 -44.7 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.622 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 61.5 m-80 -124.35 74.17 60.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -60.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' GLY . 8.8 p -116.42 -11.89 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.81 -177.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.03 8.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.744 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -90.93 37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -108.23 176.81 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.043 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.663 HG11 ' CD1' ' A' ' 3' ' ' LEU . 3.2 m -67.04 -32.94 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.86 -41.85 12.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.1 -17.77 11.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.7 ' CG ' HG22 ' A' ' 147' ' ' THR . 22.4 ptp -105.5 -9.44 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 147' ' ' THR . 20.0 m -76.56 -26.39 55.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -86.37 -8.0 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 2.0 m-20 -116.13 163.84 20.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 138.45 22.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.683 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m -21.42 -52.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -46.25 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 32' ' ' VAL . 11.9 t -42.09 -39.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.736 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -42.36 -35.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.92 -33.61 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 8.7 t -54.02 -22.32 10.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 35.8 m-80 -78.63 -44.78 23.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.846 ' O ' HG23 ' A' ' 41' ' ' THR . 31.4 t-20 -61.63 132.24 93.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -170.612 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.01 5.54 3.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 2.6 mm-40 -124.3 -1.19 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.55 HD21 ' SD ' ' A' ' 154' ' ' MET . 27.9 mt -116.14 -29.28 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.8 p -38.51 -33.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.51 -53.78 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -62.45 -52.76 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.717 ' HA ' HD11 ' A' ' 47' ' ' LEU . 57.4 m -47.57 -55.56 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -43.56 -38.49 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.66 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.917 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -44.81 -61.7 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.867 ' HA ' HG23 ' A' ' 58' ' ' VAL . 56.9 p -43.61 -50.35 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 134.97 -23.59 3.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.557 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.5 mm-40 -36.84 -54.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HB3' ' ND2' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -65.68 -57.06 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.618 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -110.52 118.29 49.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 4.23 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -112.91 6.6 17.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG21 HD21 ' A' ' 94' ' ' LEU . 37.9 t -124.93 158.4 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -174.42 93.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -107.64 13.41 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.867 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.1 t -69.75 -35.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.38 -47.94 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 62' ' ' ASN . 18.0 m -65.46 -64.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.711 HD12 HD13 ' A' ' 47' ' ' LEU . 4.1 mt -39.93 -29.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 60' ' ' THR . 7.5 t-20 -99.48 57.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.44 107.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.14 139.65 10.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.0 mt-30 -57.57 107.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 10.0 m-30 -112.76 -176.45 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.972 HG23 ' HB ' ' A' ' 151' ' ' THR . 24.1 m -150.86 84.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.856 HG12 ' HB2' ' A' ' 70' ' ' ALA . 12.1 t -50.57 134.15 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.675 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.4 m-85 -123.0 65.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.856 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.77 129.95 34.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -137.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.95 110.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.598 HG22 ' SD ' ' A' ' 154' ' ' MET . 27.6 p -54.45 177.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -69.02 -13.86 62.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.09 -22.2 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.07 -43.49 52.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.69 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.6 m-85 -73.1 -30.25 63.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.2 t -66.04 -30.91 71.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -57.77 -59.25 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 158' ' ' VAL . 43.3 mt -54.33 152.11 12.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.7 42.99 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -53.76 -54.1 42.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.0 m -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -51.59 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.48 -46.61 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -16.94 44.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 89' ' ' THR . 1.4 tp10 -87.7 -39.43 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.728 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.6 mt -66.93 -14.11 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -91.39 30.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.4 t -167.48 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.527 ' ND2' HD23 ' A' ' 87' ' ' LEU . 89.4 m-20 -40.18 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.417 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 23.0 t 66.69 9.82 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -136.02 -44.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -87.05 -24.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.755 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.45 -39.42 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -53.1 -45.59 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.584 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.8 OUTLIER -52.51 -37.0 56.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 98' ' ' LEU . 2.3 mt -68.71 -63.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.755 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.43 -54.86 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.529 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.9 p -50.72 -50.18 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.742 ' CE1' HG13 ' A' ' 124' ' ' VAL . 3.0 t80 -62.61 -12.14 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.665 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 33.9 m-70 -96.69 24.2 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -159.23 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 118' ' ' THR . 25.4 t -107.47 138.31 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.38 107.15 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 163.35 -41.9 0.33 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.483 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.3 OUTLIER 75.69 121.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 21.9 m -159.71 128.33 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 1.7 p -61.51 169.67 2.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.416 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.03 46.1 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.779 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.34 -43.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 3.8 m120 -102.15 -19.8 14.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.712 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -53.04 -21.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.694 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.1 p -68.91 142.64 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.04 -170.8 17.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.7 m -70.15 98.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.408 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.682 ' NH2' HG21 ' A' ' 67' ' ' THR . 0.0 OUTLIER -92.49 170.52 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.803 ' O ' HG13 ' A' ' 103' ' ' VAL . 37.2 tt0 -125.22 120.64 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.949 ' HA ' HG22 ' A' ' 103' ' ' VAL . 2.5 p -87.09 148.47 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.029 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -54.59 -24.21 20.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 1.029 ' N ' HD23 ' A' ' 119' ' ' LEU . 14.4 tm0? -63.99 -42.62 97.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 136.1 -39.42 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.597 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -64.53 170.82 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -100.17 155.54 17.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.84 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.5 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -76.09 91.25 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.102 HG22 HG22 ' A' ' 135' ' ' VAL . 12.0 t -90.7 147.04 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.694 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -152.83 166.2 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 127' ' ' THR . 8.0 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.73 154.42 47.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.102 HG22 HG22 ' A' ' 126' ' ' VAL . 1.1 t -144.58 120.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.95 -82.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.3 OUTLIER -150.8 24.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -121.78 171.73 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.71 119.08 36.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 94.6 t -60.66 105.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.526 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.8 t -75.47 -57.07 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.6 t -146.67 105.81 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.543 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.88 169.49 12.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.81 75.49 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.2 t -85.17 64.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -50.86 124.29 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.736 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.2 p -93.53 -106.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -103.9 -73.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.461 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -122.73 40.73 3.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.653 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -176.33 159.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.972 ' HB ' HG23 ' A' ' 67' ' ' THR . 24.7 m -96.74 -179.4 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.657 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -144.02 129.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.543 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 80.8 m-85 -137.55 87.05 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.598 ' SD ' HG22 ' A' ' 72' ' ' THR . 3.1 mtm -60.78 138.39 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.73 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -134.47 169.68 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.492 ' O ' ' OG ' ' A' ' 157' ' ' SER . 30.2 p-10 -113.92 52.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.9 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.8 m -172.56 129.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 75' ' ' ALA . 70.9 t -75.1 77.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.604 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.2 mp -38.06 151.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.508 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 10.8 mtt -143.88 146.5 34.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.584 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.95 122.54 7.29 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.597 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD11 HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 5' ' ' GLY . 7.4 p -136.86 168.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.516 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.26 151.79 11.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -175.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -64.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.38 -39.04 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.23 -34.14 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -72.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -53.09 -55.92 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.8 t80 -36.87 -64.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.82 -50.51 14.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -51.32 -39.95 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.59 -45.84 28.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -124.21 76.68 60.49 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.05 -30.77 6.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -129.68 178.02 6.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 -178.76 31.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -12.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -86.61 2.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.0 p -81.98 165.59 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.583 ' HB ' HG13 ' A' ' 145' ' ' VAL . 24.9 m -69.33 -29.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' SER . 8.4 tt0 -87.42 -57.51 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.93 -62.6 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.837 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.8 ptp -49.04 -28.19 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.4 t -60.15 -15.86 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -92.63 12.5 22.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.546 ' CG ' HG12 ' A' ' 32' ' ' VAL . 68.1 m-20 -129.86 151.63 78.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.855 HG11 ' O ' ' A' ' 61' ' ' LEU . 11.0 p 28.16 -118.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.845 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -7.45 -71.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 35' ' ' SER . 57.5 t -36.47 -61.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.837 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.17 -67.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.702 ' OG ' HG21 ' A' ' 44' ' ' THR . 3.5 t -77.85 47.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -160.71 -43.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' THR . 3.2 t-20 -44.98 126.27 5.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 164.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 72' ' ' THR . 2.1 mt-10 -122.14 -4.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.774 HD22 ' HB1' ' A' ' 70' ' ' ALA . 25.6 mt -113.07 -25.76 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -47.87 -41.34 23.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.533 HG23 ' CD2' ' A' ' 76' ' ' PHE . 2.5 t -61.11 -29.3 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.925 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -85.44 -43.37 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.702 HG21 ' OG ' ' A' ' 35' ' ' SER . 1.0 OUTLIER -48.77 -59.25 3.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.82 -36.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.01 -69.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.843 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -50.57 -61.74 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.701 ' HA ' HG23 ' A' ' 58' ' ' VAL . 4.1 p -41.45 -65.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 149.04 -21.86 1.25 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 28.2 mt-30 -36.63 -40.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -70.53 -50.31 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -136.34 130.63 18.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 6.76 3.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.82 4.91 20.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 94' ' ' LEU . 50.9 t -125.51 142.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 48' ' ' SER . 5.4 p30 -165.79 107.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' ASP . 8.0 mp -110.68 -27.25 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' A' ' 48' ' ' SER . 41.4 t -37.16 -31.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 57' ' ' LEU . 1.5 t70 -75.86 -54.65 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.4 m -60.98 -54.4 45.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.855 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -49.97 -35.05 22.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 31' ' ' ALA . 7.2 m-20 -90.08 54.43 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 109.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.45 137.58 5.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.7 mt-30 -53.92 109.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.0 m-30 -113.24 -170.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.997 HG23 ' HB ' ' A' ' 151' ' ' THR . 71.5 m -154.84 88.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 152' ' ' VAL . 6.4 t -51.64 145.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 9.1 m-85 -135.95 69.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.774 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -97.47 127.55 37.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -141.446 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.925 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.02 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.578 HG21 HG21 ' A' ' 141' ' ' VAL . 14.7 p -53.02 -179.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -70.21 -29.65 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.27 14.76 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -103.76 -30.62 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.7 m-85 -89.38 -37.95 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -60.06 -13.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.31 -25.03 65.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.59 HD11 ' CG2' ' A' ' 158' ' ' VAL . 24.7 mt -92.99 156.63 40.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.85 31.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.8 p -54.37 -56.16 21.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.485 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -50.98 -47.26 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.844 HG22 ' HE3' ' A' ' 88' ' ' LYS . 34.9 mm -60.48 -69.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -37.96 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 1.004 ' O ' HG22 ' A' ' 89' ' ' THR . 1.6 tp10 -71.63 -48.77 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.2 mt -48.15 -33.93 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.844 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.03 39.44 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.0 t -167.48 -31.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.523 ' CG ' HD23 ' A' ' 93' ' ' LEU . 57.2 m-20 -63.05 -71.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.527 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.2 p 86.04 -39.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -93.62 -55.11 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -60.96 -30.64 70.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.998 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -77.31 -47.12 20.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' OG1' ' A' ' 99' ' ' THR . 2.8 m -54.3 -44.04 71.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.4 OUTLIER -51.42 -41.56 60.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.505 HG22 HD23 ' A' ' 98' ' ' LEU . 1.9 mt -65.12 -56.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.998 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.74 -61.23 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.45 ' HB ' ' N ' ' A' ' 120' ' ' GLN . 0.9 OUTLIER -44.35 -49.4 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.747 ' CE1' HG13 ' A' ' 124' ' ' VAL . 1.0 OUTLIER -57.3 -28.3 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.731 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.3 m-70 -83.64 22.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 101' ' ' HIS . 1.9 t -154.56 141.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.863 HG22 ' HA ' ' A' ' 118' ' ' THR . 4.0 t -123.81 150.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -98.07 109.85 22.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 119.94 85.95 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -35.3 132.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.8 m -141.39 133.85 28.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -71.96 164.02 62.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.04 1.62 7.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.06 -15.16 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 113' ' ' VAL . 28.9 m120 -118.9 -38.74 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 109' ' ' PRO . 4.5 p -41.84 -28.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.478 ' HA ' HG12 ' A' ' 126' ' ' VAL . 73.7 t -56.45 136.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.07 -176.81 20.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 123' ' ' SER . 23.0 m -74.82 122.1 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.682 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -122.84 169.02 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -111.83 116.89 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.868 HG23 HG22 ' A' ' 124' ' ' VAL . 19.3 p -84.32 175.26 9.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 30.8 mt -61.0 -46.73 89.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.45 ' N ' ' HB ' ' A' ' 99' ' ' THR . 21.7 tp60 -58.38 -17.21 18.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . 105.98 -53.18 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.482 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -38.61 149.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 19.5 p -82.77 158.99 22.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.868 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.97 105.49 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.7 m -71.45 80.59 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.054 HG22 HG22 ' A' ' 135' ' ' VAL . 21.0 t -80.72 144.78 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -155.47 179.5 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.493 ' HB3' HG21 ' A' ' 140' ' ' VAL . 10.9 mp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 135' ' ' VAL . 5.3 mtpt -137.04 160.81 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.054 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -157.99 122.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.05 40.23 12.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 19.6 t30 87.95 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.75 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -59.95 176.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 3.0 m-20 -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 133' ' ' LEU . 79.0 t -59.17 111.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.578 HG21 HG21 ' A' ' 72' ' ' THR . 2.6 t -82.07 -52.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 24.2 t -154.53 105.58 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.46 172.19 14.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 15.96 79.96 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.583 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.4 t -84.98 57.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.1 m -48.29 115.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 33' ' ' ALA . 1.1 p -79.53 -97.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.12 -71.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -126.12 43.63 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -178.04 137.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.997 ' HB ' HG23 ' A' ' 67' ' ' THR . 55.3 m -75.98 174.41 10.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.63 HG22 ' HB ' ' A' ' 68' ' ' VAL . 2.4 t -141.23 129.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.657 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 84.8 m-85 -136.41 95.75 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.672 ' HG2' HD21 ' A' ' 40' ' ' LEU . 1.6 mtp -67.13 143.14 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.75 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -132.63 -175.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 2.0 p-10 -120.1 37.52 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -172.16 132.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.801 ' O ' HG23 ' A' ' 158' ' ' VAL . 4.1 m -73.72 67.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.805 HD11 ' CG1' ' A' ' 135' ' ' VAL . 57.6 mt -21.29 131.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.442 ' O ' ' HE2' ' A' ' 100' ' ' TYR . 8.2 mtt -122.77 143.18 39.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 125.26 9.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.2 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 4.3 p -138.36 152.82 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.14 152.96 27.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -165.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.94 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.763 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.805 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.13 -48.55 6.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -40.88 -30.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -69.03 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.37 -53.71 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 42.6 t80 -35.87 -64.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.44 -53.51 6.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -47.0 -33.25 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -83.76 -41.19 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.36 77.4 60.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -139.22 167.49 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.7 -160.42 13.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.2 Cg_endo -75.01 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.855 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -71.22 60.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' PRO . 81.5 p -142.54 173.56 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.052 HG22 HG13 ' A' ' 145' ' ' VAL . 56.4 t -65.45 -53.34 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -74.48 -32.89 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.676 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.9 ptp -77.64 -7.83 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -79.69 -28.51 40.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.944 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -78.46 -2.51 38.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 1.3 m-20 -130.3 167.77 19.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 158.55 42.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.607 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 4.1 p -38.09 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -62.03 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 31' ' ' ALA . 29.0 t -32.27 -43.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -40.2 -68.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.75 88.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.621 ' HA ' HG21 ' A' ' 44' ' ' THR . 4.1 m -46.45 -27.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -67.58 -44.8 77.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.911 ' O ' HG23 ' A' ' 41' ' ' THR . 16.9 t-20 -71.59 137.83 83.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -155.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.855 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 1.79 7.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.1 mm-40 -122.57 -3.2 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 154' ' ' MET . 12.6 mt -118.5 -24.37 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -40.6 -35.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.614 HG23 ' CE2' ' A' ' 76' ' ' PHE . 7.4 t -69.75 -48.9 57.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.913 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.45 -55.49 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.666 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.4 m -47.58 -52.08 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -46.04 -36.82 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.22 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.913 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.47 -62.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 1.079 ' HA ' HG23 ' A' ' 58' ' ' VAL . 65.1 p -45.02 -54.33 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 135.68 -20.72 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.516 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.7 mt-30 -37.7 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.41 -52.16 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -128.62 125.5 23.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 3.25 5.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.38 -0.76 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -131.6 127.05 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' SER . 9.3 p30 -143.32 118.79 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -126.94 10.35 6.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 1.079 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.2 t -53.29 -46.28 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.33 -45.83 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.7 m -55.17 -16.72 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -91.51 -48.01 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.554 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 23.3 p-10 -79.2 46.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -88.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.63 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -124.64 -172.37 13.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -46.21 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 4.3 m-30 -114.54 -178.65 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.752 HG23 ' HB ' ' A' ' 151' ' ' THR . 17.4 m -155.69 88.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 70' ' ' ALA . 3.4 t -52.0 141.76 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 11.4 m-85 -131.23 70.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -104.14 131.15 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -136.066 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.906 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.95 125.99 9.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 155' ' ' ILE . 22.7 p -69.04 174.11 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -64.73 -13.75 55.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.26 -19.6 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.94 -36.47 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.778 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 34.6 m-85 -78.32 -21.95 48.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -20.26 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.79 -60.69 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HB3' HG21 ' A' ' 83' ' ' THR . 21.1 mt -54.32 152.76 10.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.1 144.48 29.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.32 -52.06 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -50.04 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.71 -48.97 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.08 -57.01 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.98 -24.05 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -80.57 -43.58 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -56.06 -17.83 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 9.5 mttt -91.63 11.32 24.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.4 t -145.23 12.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 1.8 m-20 -118.57 165.52 13.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -153.7 22.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.77 -48.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.07 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -77.0 -27.69 54.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.913 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.65 -49.21 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.433 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.1 m -49.87 -51.95 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 4.3 m -45.23 -41.94 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.691 HG22 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -65.24 -57.0 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -49.04 -58.11 5.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.543 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.2 p -51.99 -45.93 64.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -64.73 -12.76 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.672 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 52.2 m-70 -95.2 22.75 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.458 HG13 HD22 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -159.26 128.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 118' ' ' THR . 2.9 t -103.91 161.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.87 99.74 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 161.99 -51.55 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.613 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.57 129.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 5.9 m -162.82 126.79 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -49.91 165.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 50.69 2.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.67 -45.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.491 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 2.4 m120 -98.07 -28.9 13.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.19 -22.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 127' ' ' THR . 1.3 p -66.11 165.92 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.25 -100.0 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.7 m -144.79 125.13 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.736 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.9 tpt180 -122.93 149.76 43.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.536 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 50.8 tt0 -94.04 116.21 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.834 ' HA ' HG22 ' A' ' 103' ' ' VAL . 52.4 p -76.37 153.38 35.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.971 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -60.19 -23.78 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.971 ' N ' HD23 ' A' ' 119' ' ' LEU . 13.6 tp60 -61.44 -34.68 75.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.98 -9.96 11.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -94.52 175.22 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.737 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 p -101.01 152.23 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 116' ' ' ARG . 2.5 p -128.74 101.15 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -66.53 100.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 135' ' ' VAL . 23.7 t -94.19 155.46 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.716 ' O ' HD23 ' A' ' 133' ' ' LEU . 1.4 p -154.07 -178.5 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 127' ' ' THR . 9.9 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -129.57 142.89 50.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.82 HG12 HD21 ' A' ' 159' ' ' LEU . 2.1 t -135.3 126.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.56 38.11 7.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.8 t30 89.4 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.732 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -60.74 179.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 40.5 m-20 -125.38 117.86 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -58.0 108.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.805 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.8 t -77.61 -50.89 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.83 105.07 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.34 163.54 12.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.23 18.23 57.78 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.052 HG13 HG22 ' A' ' 22' ' ' VAL . 1.2 t -91.23 69.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 11.4 m -58.44 130.75 48.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.535 HG22 ' CG ' ' A' ' 25' ' ' MET . 1.8 p -88.8 -104.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -110.61 -43.21 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -150.32 33.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -164.97 151.05 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.752 ' HB ' HG23 ' A' ' 67' ' ' THR . 33.1 m -92.97 170.33 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 145' ' ' VAL . 1.4 t -136.87 127.08 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.637 ' HE2' HG23 ' A' ' 67' ' ' THR . 91.1 m-85 -135.29 90.78 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 40' ' ' LEU . 5.1 mtm -63.62 145.97 54.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.703 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -135.51 -179.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 1.6 p-10 -117.15 36.84 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 47.1 m -164.59 150.14 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.962 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 158' ' ' VAL . 85.0 t -73.45 11.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.82 HD21 HG12 ' A' ' 135' ' ' VAL . 14.6 mt 51.67 -86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.703 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.7 mtp 82.54 137.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 129.08 12.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.607 HD22 HG11 ' A' ' 22' ' ' VAL . 3.0 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.538 HG11 ' CB ' ' A' ' 109' ' ' PRO . 7.6 p -131.12 167.14 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.532 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 92.93 157.92 33.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 165.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.911 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -50.04 -42.96 40.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.627 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -56.19 -18.98 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -82.46 -63.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 46.6 mt-10 -64.79 -53.31 48.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 46.3 t80 -38.97 -64.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.21 -49.99 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -48.58 -43.67 36.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -76.54 -50.38 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -119.74 82.96 27.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.78 4.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 p -135.64 -171.93 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.93 -178.01 34.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.16 8.93 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.552 ' O ' ' HE3' ' A' ' 25' ' ' MET . 61.2 p -87.18 164.1 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.132 HG12 HG13 ' A' ' 145' ' ' VAL . 19.0 m -61.57 -33.86 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.05 -47.3 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -48.51 -23.75 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.605 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 18.6 ptp -93.13 -25.23 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' GLN . 27.6 m -55.5 -21.75 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -91.32 25.89 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.643 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -140.18 152.97 68.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.93 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.795 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.6 p 27.03 -104.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.91 ' HB1' HG23 ' A' ' 58' ' ' VAL . . . -17.45 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.594 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 74.7 t -36.0 -58.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.09 -50.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -66.4 -40.77 89.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.683 ' HB3' HG21 ' A' ' 44' ' ' THR . 6.5 p -49.25 -22.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -81.2 -35.09 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t-20 -64.52 134.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -172.541 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.847 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 1.14 8.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -122.01 -2.77 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.85 HD22 ' HB1' ' A' ' 70' ' ' ALA . 26.8 mt -116.21 -31.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -36.3 -35.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m -68.16 -53.81 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.754 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -57.99 -56.91 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 35' ' ' SER . 40.2 m -47.16 -59.53 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -40.53 -39.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.17 -72.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.73 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -45.39 -60.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.536 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 10.7 p -43.21 -65.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.68 -23.13 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.562 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.1 mt-30 -38.62 -51.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -56.77 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -113.14 108.31 53.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 25.09 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 52' ' ' ASN . 7.6 mt-30 -130.31 5.77 4.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.01 155.87 41.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 6.4 p30 -163.41 102.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 57' ' ' LEU . 15.8 mt -119.11 -10.81 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.91 HG23 ' HB1' ' A' ' 31' ' ' ALA . 7.5 p -57.47 -59.78 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.596 ' H ' HG13 ' A' ' 58' ' ' VAL . 2.8 m-20 -48.79 -32.56 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.3 m -73.84 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.761 ' O ' HG11 ' A' ' 30' ' ' VAL . 6.0 mt -37.94 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.3 m-20 -84.85 51.47 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -176.42 106.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.45 138.75 10.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -58.82 104.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 11.5 m-30 -113.1 -173.27 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.966 HG23 ' HB ' ' A' ' 151' ' ' THR . 17.8 m -149.99 86.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.833 HG12 ' HB2' ' A' ' 70' ' ' ALA . 56.2 t -51.75 130.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.441 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 6.5 m-85 -119.94 69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.85 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -94.59 128.15 41.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -139.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.754 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.01 110.59 3.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 155' ' ' ILE . 47.6 p -51.52 170.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -67.62 -17.92 64.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 -20.56 27.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.8 -47.0 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 36.9 m-85 -65.18 -38.2 89.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 m -56.09 -36.85 68.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -54.16 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 83' ' ' THR . 6.1 mt -63.33 150.24 89.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.0 147.02 33.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.55 1.816 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 t -50.68 -48.5 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.623 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.9 -48.53 79.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.709 HG22 ' HD2' ' A' ' 88' ' ' LYS . 39.9 mm -62.41 -50.1 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -55.08 -19.79 8.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 4.5 tp10 -83.57 -45.55 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 87' ' ' LEU . 5.5 mt -64.89 -12.43 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.709 ' HD2' HG22 ' A' ' 84' ' ' ILE . 10.4 mtpt -92.93 30.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -164.78 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.471 ' ND2' HD23 ' A' ' 87' ' ' LEU . 19.9 m-20 -56.95 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 95' ' ' THR . 9.6 p 168.77 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.88 13.55 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -136.47 -46.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.089 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -67.45 -38.82 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 99' ' ' THR . 3.5 t -54.11 -42.68 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.429 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.75 -38.1 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.569 HG22 HD23 ' A' ' 98' ' ' LEU . 1.8 mt -69.3 -60.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.089 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -45.03 -62.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 102' ' ' VAL . 38.1 p -47.57 -50.69 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.5 t80 -61.62 -13.44 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.662 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.0 m-70 -96.29 23.41 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.596 HG13 HD23 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -160.91 118.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' A' ' 118' ' ' THR . 41.4 t -95.39 157.31 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.82 99.87 10.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.52 100.67 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 127.24 26.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.9 m -144.44 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 3.2 p -87.85 166.5 24.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.02 52.26 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.43 -47.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -102.57 -18.02 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.65 -20.31 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 127' ' ' THR . 66.5 t -70.38 137.54 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.91 -171.45 13.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -67.53 107.5 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.783 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -112.58 110.92 21.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.33 107.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.59 ' HA ' HG22 ' A' ' 103' ' ' VAL . 75.8 p -71.8 151.08 43.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -51.18 -28.56 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.476 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 4.9 tp60 -56.69 -42.24 78.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 129.43 -11.69 6.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 -178.36 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.79 133.31 55.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 116' ' ' ARG . 14.6 p -107.48 106.05 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 125' ' ' THR . 4.4 m -67.08 75.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 124' ' ' VAL . 44.3 t -60.33 147.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.62 ' HA ' HG13 ' A' ' 113' ' ' VAL . 2.5 m -141.83 175.52 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.744 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.744 HD23 ' HA3' ' A' ' 128' ' ' GLY . 5.3 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -130.79 161.15 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 1.2 t -152.55 119.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.98 50.8 2.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 87.11 -45.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.619 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -48.84 171.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -119.91 119.35 33.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 72.3 t -63.58 120.98 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.911 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -91.51 -53.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.627 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 5.2 t -153.2 108.87 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.81 -179.21 19.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.31 71.49 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.132 HG13 HG12 ' A' ' 22' ' ' VAL . 1.6 t -84.11 53.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.2 m -43.04 130.63 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.586 HG22 ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -99.52 -96.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.47 -75.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -121.8 36.99 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.59 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -171.16 150.17 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.966 ' HB ' HG23 ' A' ' 67' ' ' THR . 94.0 m -89.01 176.52 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.562 ' H ' HG22 ' A' ' 151' ' ' THR . 1.1 t -139.24 131.5 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.506 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 75.3 m-85 -139.57 89.61 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.465 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.47 141.7 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.752 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -133.35 170.63 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.416 ' OD1' ' OD2' ' A' ' 139' ' ' ASP . 5.3 p-10 -111.99 41.02 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.99 139.89 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 158' ' ' VAL . 37.5 t -75.36 69.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.5 tp -31.28 129.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.693 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 30.0 mtt -126.76 150.59 71.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.429 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.02 139.4 24.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 1.6 mm? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.486 HG11 ' CG ' ' A' ' 109' ' ' PRO . 2.1 p -119.32 144.39 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.39 146.79 18.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -164.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.2 Cg_endo -75.01 -66.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.737 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -35.87 -38.84 0.24 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -40.25 -30.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.93 -59.27 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.65 -43.99 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CZ ' ' OD1' ' A' ' 37' ' ' ASN . 83.2 t80 -63.17 -65.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -43.74 -52.53 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.86 -27.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -93.55 -39.84 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.7 m-80 -125.78 73.2 69.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' C ' HG23 ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.01 -9.43 20.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.482 HG23 ' C ' ' A' ' 16' ' ' PRO . 60.3 p -154.17 -167.63 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 80.21 -161.31 45.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.93 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -70.29 61.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . 66.4 m -137.43 162.42 33.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 145' ' ' VAL . 17.4 t -53.78 -39.12 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.62 -35.54 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.04 -12.29 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.836 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 6.7 ptp -100.45 -11.46 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 29.4 t -65.06 -50.89 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.75 -18.1 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.42 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 48.7 m-20 -94.67 142.91 25.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.01 100.04 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.833 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.4 p 30.2 -122.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.74 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.64 -72.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' SER . 93.0 t -29.62 -60.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.836 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -33.14 -66.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.818 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -48.32 -44.02 33.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.944 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -57.51 -22.1 42.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' ALA . 12.0 m120 -92.05 -33.94 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.65 ' O ' HG23 ' A' ' 41' ' ' THR . 0.5 OUTLIER -63.55 126.67 90.06 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.369 170.375 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.635 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 10.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.753 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.5 mt-10 -116.4 -18.26 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.066 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.82 -17.29 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -38.52 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 91.2 m -73.33 -53.04 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.815 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.62 -54.89 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.944 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -50.16 -53.67 26.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.368 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.99 -39.53 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.58 -72.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.815 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -44.33 -61.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.525 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 91.0 p -44.32 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 153.35 -19.45 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -50.27 -20.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.87 -44.74 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.741 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -109.81 98.06 31.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 14.33 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.4 mt-30 -128.33 6.65 5.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.944 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -125.9 -179.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.509 ' N ' HG23 ' A' ' 55' ' ' VAL . 5.0 p30 169.77 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -94.28 -32.33 13.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 t -27.11 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 58' ' ' VAL . 11.5 t70 -40.45 -56.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 57' ' ' LEU . 51.9 m -58.24 -58.82 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.833 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.06 -34.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -98.34 57.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 m -124.24 -92.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.88 178.26 36.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -63.35 108.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.6 m-30 -113.98 -168.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.95 HG23 ' HB ' ' A' ' 151' ' ' THR . 87.8 m -152.51 88.21 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.917 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.3 t -50.71 141.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 8.3 m-85 -135.12 69.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.917 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -107.09 127.27 28.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -135.478 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.749 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.96 109.1 2.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.59 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 30.4 p -58.1 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.63 7.24 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.19 0.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB1' ' C ' ' A' ' 157' ' ' SER . . . -101.35 -49.24 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.749 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 66.3 m-85 -69.94 -24.36 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -18.24 62.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.89 -61.9 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.555 HD11 ' HB ' ' A' ' 158' ' ' VAL . 52.6 mt -47.82 151.84 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.28 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -50.6 -55.61 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.1 t -38.64 -56.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -48.54 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.606 HG22 ' CE ' ' A' ' 88' ' ' LYS . 27.5 mm -60.69 -54.83 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -20.34 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.26 -45.36 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.72 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.3 mt -57.92 -17.34 16.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.606 ' CE ' HG22 ' A' ' 84' ' ' ILE . 7.4 mtmt -88.73 7.74 32.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.6 t -164.32 45.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 91' ' ' SER . 93.7 m-20 -120.71 -93.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 3.0 t 89.31 -26.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 24.92 12.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.57 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.944 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.75 -50.6 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -45.11 -39.98 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.535 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.38 -46.11 80.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -61.93 -50.82 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 94' ' ' LEU . 2.0 mt -50.78 -62.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.761 HG22 ' CD2' ' A' ' 119' ' ' LEU . 15.1 p -50.03 -44.55 51.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 6.8 t80 -64.51 -14.66 58.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.653 ' CD2' HG23 ' A' ' 97' ' ' ILE . 36.3 m-70 -92.82 15.98 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.5 OUTLIER -154.23 126.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 117' ' ' GLN . 44.5 t -105.28 144.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.14 107.8 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 121.54 110.63 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -66.61 137.19 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.7 m -157.21 134.18 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 p -65.78 165.59 19.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.486 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 52.03 2.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.82 -44.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -102.32 -28.97 11.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.541 HG13 HG11 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -48.81 -24.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.509 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.5 p -57.51 153.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.77 -165.83 53.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.2 m -61.63 135.41 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.769 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.7 tpm_? -149.74 123.47 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.853 ' O ' HG13 ' A' ' 103' ' ' VAL . 28.9 tt0 -58.11 137.92 56.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.694 ' HA ' HG22 ' A' ' 103' ' ' VAL . 22.4 p -110.69 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.761 ' CD2' HG22 ' A' ' 99' ' ' THR . 4.8 tt -61.7 -49.54 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 17.9 tp60 -48.51 -20.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 102.19 -10.11 56.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -81.61 -169.21 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.98 136.75 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.5 p -106.97 127.6 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 125' ' ' THR . 3.2 m -87.58 76.16 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.7 HG13 ' CG2' ' A' ' 135' ' ' VAL . 20.0 t -67.67 163.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.509 ' HA ' HG23 ' A' ' 113' ' ' VAL . 3.8 m -155.3 170.66 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.949 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.425 HD13 ' CG2' ' A' ' 4' ' ' VAL . 10.1 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 135' ' ' VAL . 1.4 mttt -132.15 156.28 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.7 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -155.33 125.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.79 39.03 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.5 t-20 89.74 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.893 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -55.03 177.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 9.5 m-20 -120.45 121.78 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.49 106.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.737 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.483 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 19.3 t -155.23 108.91 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.513 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 167.63 12.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 21.95 67.85 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 22' ' ' VAL . 11.3 t -93.68 53.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.8 m -40.16 116.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.773 HG22 ' HG3' ' A' ' 25' ' ' MET . 2.6 p -83.85 -103.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.71 -78.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -123.52 45.16 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.88 135.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.95 ' HB ' HG23 ' A' ' 67' ' ' THR . 65.5 m -68.06 172.66 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.51 ' N ' HG22 ' A' ' 151' ' ' THR . 1.8 t -135.31 126.93 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 78.7 m-85 -135.78 81.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.59 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 15.7 mtm -60.42 145.88 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.607 ' CA ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -135.9 -179.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -114.31 17.85 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.893 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 2.9 m -140.68 141.61 34.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 159' ' ' LEU . 98.8 t -74.76 14.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.633 ' O ' ' O ' ' A' ' 158' ' ' VAL . 64.3 mt 38.05 -169.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 173.19 139.93 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.535 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 142.97 28.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 22' ' ' VAL . 1.2 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.517 HG22 ' H ' ' A' ' 5' ' ' GLY . 3.9 p -114.76 172.58 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.38 156.07 21.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -66.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.609 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.01 -36.44 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -44.58 -28.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -75.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 2.6 tt0 -44.83 -51.39 9.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 61.0 t80 -38.27 -66.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.76 -55.68 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -41.73 -39.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.14 -46.85 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -127.12 80.07 72.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.02 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.7 p -121.86 147.44 45.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 -161.25 24.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -42.57 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -80.81 54.59 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -134.12 170.84 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.008 HG13 HG13 ' A' ' 145' ' ' VAL . 59.0 t -65.55 -36.97 78.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -86.01 -39.89 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.26 -41.57 54.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.635 ' CG ' HG22 ' A' ' 147' ' ' THR . 15.0 ptp -76.71 -20.51 56.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.9 OUTLIER -72.65 -12.11 60.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.34 17.48 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.744 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -152.0 169.48 9.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 137.8 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.669 ' CG1' ' HB3' ' A' ' 150' ' ' ALA . 2.0 m -20.93 -53.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' HG22 ' A' ' 30' ' ' VAL . . . -43.82 -88.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' HA ' ' CB ' ' A' ' 35' ' ' SER . 59.8 t -45.86 -35.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.699 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -49.17 -28.07 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -100.64 -24.87 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 10.3 t -63.62 -11.56 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -91.47 -42.74 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 41' ' ' THR . 0.5 OUTLIER -64.55 134.19 95.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -170.691 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.871 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.96 4.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -121.55 -4.71 9.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD22 ' HB1' ' A' ' 70' ' ' ALA . 29.0 mt -115.64 -32.57 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.07 -36.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -67.96 -53.78 23.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.92 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.23 -51.97 67.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.712 ' HA ' HD11 ' A' ' 47' ' ' LEU . 47.9 m -48.2 -49.82 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -48.34 -37.3 16.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.32 -70.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.91 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.34 -61.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.695 ' HA ' HG23 ' A' ' 58' ' ' VAL . 63.7 p -44.66 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.69 -22.12 0.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.543 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.5 mt-30 -38.57 -40.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -56.51 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.548 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -113.65 113.78 47.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 10.61 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -119.33 8.93 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.14 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 2.3 p30 -169.53 102.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.713 HD21 HG22 ' A' ' 99' ' ' THR . 0.2 OUTLIER -110.18 -27.52 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.695 HG23 ' HA ' ' A' ' 48' ' ' SER . 20.3 t -31.76 -62.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.74 -54.87 3.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 16.3 m -62.84 -64.23 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.758 HD12 HD13 ' A' ' 47' ' ' LEU . 6.5 mt -32.89 -39.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 t30 -94.28 58.36 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.6 m -125.62 -92.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.11 171.55 24.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.9 OUTLIER -55.12 106.85 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 9.1 m-30 -111.69 -178.88 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.777 HG23 ' HB ' ' A' ' 151' ' ' THR . 11.8 m -145.61 86.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.835 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.0 t -53.36 132.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.458 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 7.4 m-85 -120.33 68.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.835 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.84 127.38 43.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -137.84 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.92 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.08 112.97 3.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 155' ' ' ILE . 39.6 p -52.07 169.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -22.37 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -16.84 39.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -74.87 -45.27 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.725 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.7 m-85 -68.94 -40.0 79.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -51.25 -51.98 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.039 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 1.4 mtmm -38.67 -57.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.6 mt -47.29 149.4 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 138.55 23.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.2 -48.57 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 m -45.54 -47.46 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.59 -49.58 74.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.9 -57.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -49.54 -24.51 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 89' ' ' THR . 8.1 tp10 -77.98 -45.25 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -64.0 -10.96 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -91.53 28.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 86' ' ' GLU . 14.6 t -163.15 -35.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.506 ' ND2' HD23 ' A' ' 87' ' ' LEU . 2.4 m-20 -65.1 164.85 12.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.4 p -155.14 22.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.13 -47.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -78.64 -29.69 45.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.026 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.07 -43.35 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -51.1 -46.9 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -51.75 -41.59 61.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.656 HG22 HD23 ' A' ' 98' ' ' LEU . 1.9 mt -63.14 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.026 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -47.81 -59.08 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.713 HG22 HD21 ' A' ' 57' ' ' LEU . 18.4 p -52.75 -49.22 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 160' ' ' MET . 43.1 t80 -61.04 -16.88 48.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.655 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.9 m-70 -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -157.48 124.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 118' ' ' THR . 53.5 t -105.75 138.18 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.25 104.48 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 133.73 113.23 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.7 140.42 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 108' ' ' SER . 23.3 m -156.97 171.98 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -103.1 164.76 14.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.425 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.96 51.38 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.79 -46.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 113' ' ' VAL . 65.8 m-20 -99.57 -30.23 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.738 HG13 HG11 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -43.96 -28.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 126' ' ' VAL . 9.4 p -55.48 161.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.39 -170.36 52.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 47.3 m -66.1 131.95 47.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.354 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.836 ' CD ' HG11 ' A' ' 103' ' ' VAL . 5.3 tpp180 -138.76 117.72 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 103' ' ' VAL . 33.3 tt0 -68.73 115.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.866 ' HA ' HG22 ' A' ' 103' ' ' VAL . 30.7 p -73.7 164.47 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.02 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -65.1 -25.47 67.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 1.02 ' N ' HD23 ' A' ' 119' ' ' LEU . 28.8 tp60 -66.0 -21.83 66.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.78 6.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -69.58 -172.85 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -124.32 147.5 48.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.798 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.4 p -120.97 117.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.5 m -74.1 80.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.738 HG11 HG13 ' A' ' 112' ' ' VAL . 26.0 t -67.96 146.89 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 128' ' ' GLY . 4.7 m -141.43 176.28 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.758 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.758 HD23 ' HA3' ' A' ' 128' ' ' GLY . 10.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.501 ' CE ' ' OD1' ' A' ' 139' ' ' ASP . 32.2 mttt -136.63 159.08 42.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.702 ' CG2' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -154.08 121.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 36.09 53.31 1.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t30 86.57 -46.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -46.79 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.501 ' OD1' ' CE ' ' A' ' 134' ' ' LYS . 26.1 m-20 -123.55 110.4 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.626 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 54.6 t -55.67 110.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.711 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -80.77 -50.63 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.401 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 34.2 t -153.79 104.32 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.288 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.82 174.33 16.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 75.35 18.07 80.04 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.008 HG13 HG13 ' A' ' 22' ' ' VAL . 2.4 t -87.0 64.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.8 m -51.08 124.71 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.699 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.8 p -89.89 -108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -108.24 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.479 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -126.75 38.97 4.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.669 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -176.15 167.89 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.777 ' HB ' HG23 ' A' ' 67' ' ' THR . 33.1 m -104.11 179.92 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.676 ' H ' HG22 ' A' ' 151' ' ' THR . 0.9 OUTLIER -143.53 128.84 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.521 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 80.4 m-85 -137.62 86.91 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -59.51 145.14 45.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pt -138.22 170.8 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -112.06 46.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.62 143.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 158' ' ' VAL . 32.0 t -78.6 69.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.691 HD21 ' CG2' ' A' ' 124' ' ' VAL . 1.1 tp -32.03 129.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.694 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 12.0 mtt -123.24 148.47 55.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.424 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.1 127.4 10.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.7 m -130.95 136.74 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.66 155.88 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 177.535 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.571 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -47.19 -36.98 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -29.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -67.5 -75.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -52.94 -52.35 58.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -38.97 -54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.14 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -36.65 73.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' GLU . . . -79.69 -44.41 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -123.14 76.44 51.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -59.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 p -115.6 155.11 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 124.9 -166.62 17.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.65 10.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.849 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -89.23 42.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 78.2 p -119.17 172.87 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.861 HG22 HG13 ' A' ' 145' ' ' VAL . 61.3 t -68.02 -39.84 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.21 -36.68 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.97 -38.55 95.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.762 ' HG3' HG22 ' A' ' 147' ' ' THR . 15.2 ptp -77.78 -14.34 59.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 27' ' ' GLN . 3.6 p -61.98 -64.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.483 ' N ' ' OG ' ' A' ' 26' ' ' SER . 3.9 mt-30 -37.85 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 37.2 m-20 -85.43 142.34 37.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.1 Cg_endo -74.95 101.84 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.782 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.826 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 2.4 p 29.7 -104.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.754 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -19.85 -83.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 46.3 t -28.36 -54.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -41.67 -61.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -52.64 -26.38 13.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.589 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.04 44.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 35' ' ' SER . 26.7 m-80 -161.4 -40.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' THR . 2.3 m-20 -53.89 136.15 56.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 175.633 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.96 6.15 3.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.477 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.8 mm-40 -128.25 2.75 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.696 HD21 ' HG3' ' A' ' 154' ' ' MET . 43.6 mt -121.67 -32.93 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.2 p -35.5 -41.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -62.72 -54.46 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.936 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.33 -43.23 96.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.66 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -48.61 -60.9 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.17 -35.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.75 -72.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.766 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -44.4 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.484 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 2.8 p -41.55 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.22 -17.57 1.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -19.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.726 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -39.22 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.74 ' CB ' HG13 ' A' ' 55' ' ' VAL . 1.8 m-80 -128.83 105.45 18.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -108.84 -2.92 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.028 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -117.74 176.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.2 p30 174.51 99.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD11 HG22 ' A' ' 99' ' ' THR . 4.1 mm? -98.25 -51.43 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.791 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -14.53 -79.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.791 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -36.93 -59.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 57' ' ' LEU . 36.0 m -51.89 -44.73 63.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -60.72 -32.69 71.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.35 32.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.7 m -90.27 -93.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.642 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.22 -175.28 15.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -47.02 106.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.231 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -114.96 -176.48 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.878 HG23 ' HB ' ' A' ' 151' ' ' THR . 13.5 m -156.14 90.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.862 HG12 ' HB2' ' A' ' 70' ' ' ALA . 6.3 t -53.73 139.55 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.6 m-85 -128.62 64.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.862 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.13 133.4 26.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -135.579 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.936 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.0 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 24.8 p -58.98 179.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -62.21 -28.02 69.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -15.69 50.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.763 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.44 -42.44 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.754 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 54.7 m-85 -79.88 -35.01 38.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -61.02 -32.56 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -51.97 -54.98 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.73 151.72 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 147.39 33.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.33 -54.99 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -39.02 -50.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.94 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.21 -51.72 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.402 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.3 mm -58.39 -56.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.36 -22.83 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 89' ' ' THR . 1.5 tp10 -81.26 -49.97 10.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.668 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.6 mt -51.91 -42.49 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' CE ' HG22 ' A' ' 84' ' ' ILE . 1.9 mtmp? -67.43 -3.08 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.1 t -132.04 11.37 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.527 ' ND2' HD23 ' A' ' 87' ' ' LEU . 38.4 m-20 -109.5 -160.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.6 t 169.74 -28.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.5 p -105.81 25.65 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -45.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.028 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -73.43 -52.61 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.2 m -39.28 -45.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.533 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.71 -45.42 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.607 HG22 HD23 ' A' ' 98' ' ' LEU . 1.5 mt -60.82 -58.02 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 97' ' ' ILE . 1.1 mt -47.42 -58.45 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.679 HG22 HD11 ' A' ' 57' ' ' LEU . 1.8 p -52.28 -46.46 65.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 160' ' ' MET . 10.4 t80 -62.67 -15.81 54.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.707 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 18.6 m-70 -92.25 20.7 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -155.07 130.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.811 HG22 ' HA ' ' A' ' 118' ' ' THR . 4.1 t -105.2 162.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -121.71 101.93 7.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 160.77 -48.05 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.642 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 79.59 127.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 6.0 m -162.08 125.28 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 p -50.18 166.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.437 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.5 Cg_endo -74.97 48.67 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.28 -44.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 21.9 m-20 -98.77 -27.54 13.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 126' ' ' VAL . 2.5 p -52.54 -20.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.549 HG23 ' HA ' ' A' ' 127' ' ' THR . 9.8 p -68.07 150.69 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.28 -102.58 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.8 m -135.57 116.05 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.883 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -108.17 127.91 54.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.68 101.73 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.811 ' HA ' HG22 ' A' ' 103' ' ' VAL . 7.3 p -61.56 155.79 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.067 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -61.3 -24.82 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 1.067 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.33 -27.2 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.93 -23.81 9.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.531 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -76.31 -178.34 4.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.4 p -112.48 153.53 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.2 p -128.56 103.31 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.8 m -63.39 103.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.66 HG13 ' CG2' ' A' ' 135' ' ' VAL . 25.1 t -96.43 157.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.549 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.94 166.72 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.444 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.447 ' HB3' HG21 ' A' ' 140' ' ' VAL . 7.7 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 9.2 mttt -137.78 155.5 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.66 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.5 t -151.97 119.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.05 44.43 9.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 6.9 t30 86.89 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.757 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -58.39 174.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.459 ' N ' ' OD2' ' A' ' 156' ' ' ASP . 14.3 m-20 -121.13 112.98 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 133' ' ' LEU . 72.9 t -57.27 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.571 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.2 t -61.52 -61.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.1 t -145.59 105.47 4.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.01 167.18 12.26 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.86 16.07 68.72 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.861 HG13 HG22 ' A' ' 22' ' ' VAL . 1.5 t -88.37 57.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.1 m -47.41 127.23 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.2 p -92.75 -106.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . . . -91.85 -72.61 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -130.11 25.38 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.826 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -150.34 144.55 25.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.878 ' HB ' HG23 ' A' ' 67' ' ' THR . 23.9 m -81.61 172.87 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.475 ' H ' HG22 ' A' ' 151' ' ' THR . 1.7 t -138.54 125.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.63 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.2 m-85 -135.3 87.1 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.696 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -65.58 120.62 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.757 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.2 pp -113.38 178.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 11.3 p-10 -118.97 52.27 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.1 m -176.56 125.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 75' ' ' ALA . 22.0 t -70.02 70.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.602 HD11 ' CG1' ' A' ' 135' ' ' VAL . 62.5 mt -29.15 145.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.596 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.29 143.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.533 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 135.23 18.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 22' ' ' VAL . 2.4 mm? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.733 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.9 m -133.08 141.91 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.13 153.26 10.05 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.512 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -62.98 -39.97 98.73 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.76 -34.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -70.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.8 tm-20 -45.83 -50.46 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' ALA . 59.7 t80 -43.46 -65.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.7 -47.88 7.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.89 -39.21 38.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.06 -47.54 14.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -122.63 77.48 47.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -25.35 11.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.3 p -132.2 -168.16 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.62 179.21 51.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.42 1.075 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.69 20.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.841 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -82.05 6.17 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 90.4 p -86.6 169.04 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 145' ' ' VAL . 55.7 t -63.92 -37.33 79.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -31.91 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -62.06 -28.24 70.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.522 ' SD ' HG12 ' A' ' 145' ' ' VAL . 21.2 ptp -88.43 -9.74 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 147' ' ' THR . 43.2 m -76.89 -26.25 53.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.6 -26.03 64.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -108.31 169.13 6.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' CB ' ' OD1' ' A' ' 62' ' ' ASN . 18.3 Cg_endo -75.03 161.15 39.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.62 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 9.8 p -36.13 -34.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -65.53 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 31' ' ' ALA . 16.0 t -33.19 -48.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 147' ' ' THR . . . -37.03 -54.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -74.47 -39.56 62.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.567 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.8 t -47.54 -25.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.79 -46.76 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.857 ' O ' HG23 ' A' ' 41' ' ' THR . 4.0 t-20 -54.1 130.55 59.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -171.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.04 1.61 7.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 2.0 mm-40 -116.95 -7.78 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 154' ' ' MET . 59.8 mt -107.08 -28.08 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.9 p -36.83 -32.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.475 HG22 ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -69.05 -55.88 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.927 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.01 -52.36 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.737 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.5 m -46.93 -52.48 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -46.7 -36.12 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.9 -69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.796 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.79 -62.08 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.85 ' HA ' HG23 ' A' ' 58' ' ' VAL . 97.3 p -44.41 -61.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 144.63 -22.96 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.542 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.7 mt-30 -38.78 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 -48.14 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -132.04 127.19 20.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 5.09 4.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.43 3.24 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.6 t -123.45 140.5 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 6.0 p30 -162.87 105.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB3' HD22 ' A' ' 61' ' ' LEU . 13.9 mt -109.87 -20.85 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.85 HG23 ' HA ' ' A' ' 48' ' ' SER . 19.6 t -38.4 -33.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.2 t70 -77.46 -54.27 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' LEU . 92.5 m -58.99 -61.79 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -39.94 -37.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 29' ' ' PRO . 1.8 m-80 -85.2 48.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB2' ' OH ' ' A' ' 66' ' ' TYR . 2.6 m -106.09 -94.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -116.52 178.6 17.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -50.12 108.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 8.4 m-30 -111.97 -170.17 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.985 HG23 ' HB ' ' A' ' 151' ' ' THR . 41.6 m -152.49 86.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.984 HG12 ' HB2' ' A' ' 70' ' ' ALA . 35.2 t -52.54 135.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.736 ' CD2' HG23 ' A' ' 103' ' ' VAL . 16.9 m-85 -126.54 72.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.984 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -107.06 125.48 32.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 -136.303 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.927 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.94 118.53 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.815 HG22 ' SD ' ' A' ' 154' ' ' MET . 4.0 p -59.26 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.14 10.33 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.6 -9.34 11.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -82.03 -55.82 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.863 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 63.8 m-85 -64.84 -32.0 73.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -58.49 -38.53 77.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 24.3 mtpt -51.71 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.73 ' H ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -37.47 154.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.51 23.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.13 -51.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -47.39 84.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.79 -57.08 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.54 -23.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 89' ' ' THR . 1.1 tp10 -81.54 -47.92 12.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 6.4 mt -53.56 -22.66 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 12.5 mttt -88.7 23.4 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 86' ' ' GLU . 10.2 t -168.39 34.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' A' ' 93' ' ' LEU . 79.0 m-20 -122.53 -41.78 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER 39.39 29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 90' ' ' ASN . 1.8 m -149.71 -53.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.685 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -81.12 -17.5 49.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -89.56 -38.57 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 99' ' ' THR . 1.8 m -54.73 -43.98 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.517 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -56.1 -37.78 69.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -64.33 -55.26 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -46.9 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 95' ' ' THR . 67.6 p -43.2 -52.28 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 5.4 t80 -58.45 -18.14 26.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.642 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 53.5 m-70 -93.98 23.71 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -164.19 115.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 117' ' ' GLN . 15.7 t -102.72 146.47 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.86 113.36 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.485 ' O ' ' NH1' ' A' ' 116' ' ' ARG . . . 124.63 97.65 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.447 HE21 ' N ' ' A' ' 150' ' ' ALA . 0.0 OUTLIER -58.96 131.84 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.435 ' HB ' HG13 ' A' ' 112' ' ' VAL . 38.6 m -145.69 134.34 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 1.6 p -67.66 163.17 51.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.733 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.03 46.08 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.31 18.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' VAL . 23.5 m-80 -151.72 -50.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.28 -40.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.905 HG23 ' HA ' ' A' ' 127' ' ' THR . 3.2 p -40.34 138.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.49 -171.74 17.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.657 HG23 ' HB3' ' A' ' 123' ' ' SER . 1.2 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.786 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.732 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -111.22 113.77 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.817 ' O ' HG13 ' A' ' 103' ' ' VAL . 32.0 tt0 -69.5 103.62 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.609 ' HA ' HG13 ' A' ' 103' ' ' VAL . 4.7 p -80.94 173.33 12.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.463 ' C ' ' N ' ' A' ' 121' ' ' GLY . 17.5 mt -55.77 -57.83 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -40.0 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 106.39 -18.77 38.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 118' ' ' THR . . . -76.03 142.27 41.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 115' ' ' THR . 1.1 m -84.68 128.51 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.3 p -100.98 99.69 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 27.8 m -65.04 77.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 124' ' ' VAL . 40.2 t -63.99 165.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.905 ' HA ' HG23 ' A' ' 113' ' ' VAL . 17.3 m -155.77 173.62 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.483 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.521 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -130.06 154.5 47.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.026 HG12 HD21 ' A' ' 159' ' ' LEU . 2.0 t -141.29 103.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 65.17 -58.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.521 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -156.31 -39.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -59.85 170.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.405 ' C ' HG22 ' A' ' 155' ' ' ILE . 21.8 m-20 -114.54 122.29 46.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.1 136.33 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 154' ' ' MET . 3.1 t -114.55 -56.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.2 t -144.28 96.74 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.336 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.32 163.28 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.5 58.23 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 22' ' ' VAL . 1.5 t -89.1 52.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 61.5 m -47.2 126.94 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.534 HG22 ' HB1' ' A' ' 33' ' ' ALA . 2.9 p -84.95 -111.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -102.13 -38.55 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -158.98 47.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -178.45 132.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.985 ' HB ' HG23 ' A' ' 67' ' ' THR . 17.3 m -71.35 172.34 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -143.5 125.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.577 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 96.8 m-85 -133.25 94.66 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.815 ' SD ' HG22 ' A' ' 72' ' ' THR . 15.3 mtm -70.71 115.81 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 1.022 HD13 ' O ' ' A' ' 157' ' ' SER . 1.2 pp -109.56 168.07 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.487 ' O ' ' OG ' ' A' ' 157' ' ' SER . 7.0 p-10 -100.15 44.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 1.022 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -174.67 140.62 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.858 HG23 ' HG2' ' A' ' 160' ' ' MET . 0.8 OUTLIER -76.54 32.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.026 HD21 HG12 ' A' ' 135' ' ' VAL . 35.4 mt 36.73 -92.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.858 ' HG2' HG23 ' A' ' 158' ' ' VAL . 4.9 mtp 92.53 137.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.99 138.96 23.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 161' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.051 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.7 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 143' ' ' GLY . 26.4 m -124.66 134.62 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 141' ' ' VAL . . . 111.85 152.3 11.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -175.033 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.93 -67.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.696 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -36.47 -35.49 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.54 -30.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -86.0 -66.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.774 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 22.1 mt-10 -45.22 -49.69 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.439 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 79.3 t80 -53.11 -65.57 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.66 -39.67 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.42 -30.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 -33.31 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.717 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 16.7 m-80 -123.57 79.28 55.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.3 p -114.92 -15.97 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -45.41 177.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.63 21.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -104.91 32.45 4.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.7 p -107.68 173.33 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 145' ' ' VAL . 43.2 t -56.61 -48.32 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 26' ' ' SER . 54.2 tt0 -82.39 -47.41 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -47.14 25.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.785 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.5 ptp -68.66 -17.4 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 3.6 t -64.68 -40.84 96.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -66.26 -10.87 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.536 ' CG ' HG12 ' A' ' 32' ' ' VAL . 66.1 m-20 -100.67 146.4 32.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.02 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.798 HG13 ' H ' ' A' ' 31' ' ' ALA . 9.7 p 29.92 -119.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.798 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -10.14 -71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.6 -62.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.785 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -30.81 -75.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.804 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -50.62 -37.38 39.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.946 ' HB3' HG21 ' A' ' 44' ' ' THR . 0.7 OUTLIER -59.18 -15.64 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.17 -18.94 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 41' ' ' THR . 2.7 m120 -61.0 128.34 89.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 169.586 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.689 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -75.0 7.67 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.678 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.61 -18.92 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.034 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -103.92 -14.51 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -41.72 -31.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -72.25 -49.35 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.04 -57.92 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.946 HG21 ' HB3' ' A' ' 35' ' ' SER . 1.1 m -48.25 -63.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -36.62 -37.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.78 -70.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.869 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -49.87 -60.11 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.05 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 154.83 -22.81 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.422 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.3 mt-30 -43.14 -26.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 1.7 tp -92.01 -40.51 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.32 121.19 10.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 8.95 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -116.34 9.91 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.861 HG21 ' CD2' ' A' ' 94' ' ' LEU . 1.5 t -130.35 151.71 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' SER . 3.1 p30 -169.56 109.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' THR . 16.6 mt -126.95 -38.32 2.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.732 HG23 ' HB1' ' A' ' 31' ' ' ALA . 7.4 p -31.41 -59.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -45.07 -52.62 8.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -60.65 -58.72 7.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.737 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.1 mt -35.61 -34.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 60' ' ' THR . 34.3 t30 -88.33 53.3 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.29 110.0 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 87.87 138.16 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.4 mp0 -52.23 104.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 6.5 m-30 -109.22 -174.85 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 151' ' ' THR . 35.7 m -149.32 90.71 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.917 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.8 t -54.51 142.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.48 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 11.0 m-85 -133.21 59.64 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.917 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.78 129.03 29.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -136.471 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 108.43 2.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.558 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 71.6 p -56.04 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -87.18 -8.59 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.595 ' N ' HD22 ' A' ' 73' ' ' ASN . . . -106.32 21.69 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 158' ' ' VAL . . . -118.07 -36.96 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 41.4 m-85 -86.52 -24.7 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.8 m -71.56 -7.5 48.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 74' ' ' ALA . 3.4 mtmm -81.27 -10.83 59.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 HG21 ' A' ' 158' ' ' VAL . 2.4 mt -110.69 155.94 41.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.23 42.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.83 -38.25 61.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.37 -49.4 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -49.34 77.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.43 -39.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.44 -30.35 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -72.15 -39.33 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.588 ' HB3' HD13 ' A' ' 94' ' ' LEU . 6.1 mt -62.26 -35.37 78.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 15.7 mttt -73.33 1.85 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 86' ' ' GLU . 12.0 t -144.7 36.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' SER . 96.6 m-20 -119.05 -85.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.8 t 83.56 -3.34 1.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p -125.55 -41.44 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -90.13 -25.33 20.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.861 ' CD2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -81.42 -57.18 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 t -41.87 -41.0 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.94 -49.66 74.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.414 HG22 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -59.5 -51.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD21 HD12 ' A' ' 94' ' ' LEU . 1.6 mt -51.54 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 22.6 p -49.44 -45.68 46.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.656 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.4 t80 -59.42 -25.21 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.734 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 20.8 m-70 -85.22 16.31 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.457 HG11 HD22 ' A' ' 61' ' ' LEU . 2.2 t -148.85 147.31 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.897 HG22 ' HA ' ' A' ' 118' ' ' THR . 30.0 t -129.99 141.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.582 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -91.97 99.94 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.36 90.05 0.28 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.25 140.54 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.8 m -159.8 129.04 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.442 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -60.27 165.0 5.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.84 -46.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -96.84 -25.9 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.744 HG13 HG11 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -50.66 -26.96 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.522 ' HA ' HG12 ' A' ' 126' ' ' VAL . 10.2 p -58.9 154.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.55 -167.29 44.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 25.1 m -67.95 122.37 18.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.779 HH21 ' HB3' ' A' ' 117' ' ' GLN . 4.9 tpm_? -130.43 133.41 46.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.869 ' O ' HG13 ' A' ' 103' ' ' VAL . 40.4 tt0 -73.67 128.12 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.897 ' HA ' HG22 ' A' ' 103' ' ' VAL . 68.5 p -103.22 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.582 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 14.2 mt -59.59 -49.08 79.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.494 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 22.3 tp60 -49.95 -20.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.71 -30.24 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.81 175.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 0.809 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.438 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 0.3 OUTLIER -113.46 138.68 49.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.2 p -106.02 121.75 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.3 m -73.72 72.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.744 HG11 HG13 ' A' ' 112' ' ' VAL . 27.7 t -60.76 149.28 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 128' ' ' GLY . 7.4 m -148.1 176.07 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.73 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.73 HD23 ' HA2' ' A' ' 128' ' ' GLY . 9.4 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 127' ' ' THR . 60.7 mttt -139.98 160.78 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.746 ' CG1' HD11 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -153.97 120.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.03 48.13 6.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.2 t30 87.79 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.666 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -52.18 176.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 141' ' ' VAL . 1.5 m-20 -123.23 116.75 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 41.7 t -58.43 88.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.696 HG12 ' HA3' ' A' ' 7' ' ' GLY . 4.2 t -57.08 -59.48 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.733 ' SG ' HG21 ' A' ' 145' ' ' VAL . 43.5 t -144.64 98.9 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.623 ' O ' HG22 ' A' ' 4' ' ' VAL . . . -110.88 168.86 13.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.29 27.1 70.54 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 22' ' ' VAL . 6.6 t -100.65 51.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.1 m -36.59 112.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.7 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.9 OUTLIER -75.82 -97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -107.27 -78.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -121.88 43.17 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -176.77 136.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.951 ' HB ' HG23 ' A' ' 67' ' ' THR . 12.6 m -64.4 174.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.65 HG21 HG23 ' A' ' 147' ' ' THR . 1.4 t -140.41 122.88 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.631 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.3 m-85 -135.88 84.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.827 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.3 mpp? -70.9 112.17 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.666 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -102.67 173.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.43 ' O ' ' OG ' ' A' ' 157' ' ' SER . 17.2 p-10 -111.55 45.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -173.34 119.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.881 ' O ' HG23 ' A' ' 158' ' ' VAL . 1.0 OUTLIER -67.5 74.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.746 HD11 ' CG1' ' A' ' 135' ' ' VAL . 21.3 mt -32.84 154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.656 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 mtt -134.01 144.14 50.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.496 HD21 HG21 ' A' ' 22' ' ' VAL . 1.9 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.788 HG13 ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -87.98 -176.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.788 ' N ' HG13 ' A' ' 4' ' ' VAL . . . 68.59 159.54 1.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 144.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.678 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.1 Cg_endo -75.02 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.734 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.64 -58.8 2.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -37.66 -35.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -56.57 -60.9 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -76.7 -51.69 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLY . 52.0 t80 -35.71 -67.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.22 -56.06 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.37 -36.93 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.18 -44.4 19.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -128.24 76.46 78.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.03 -62.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -123.03 107.28 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.38 -160.63 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.863 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.24 52.33 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -126.24 167.5 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.774 ' HB ' HG13 ' A' ' 145' ' ' VAL . 2.5 m -66.6 -11.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -106.58 -45.48 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.09 -17.88 11.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.596 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 21.9 ptp -99.0 -9.86 23.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.794 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 147' ' ' THR . 26.3 t -75.91 -37.09 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.21 -3.09 47.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -118.31 161.4 35.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 139.24 24.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -22.7 -50.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -47.3 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.459 HG13 ' OG ' ' A' ' 35' ' ' SER . 14.8 t -44.21 -38.39 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.75 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.95 -25.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' VAL . . . -101.92 -32.65 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.63 ' CB ' HG21 ' A' ' 44' ' ' THR . 12.8 p -57.61 -17.02 12.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 53.7 m-80 -79.2 -39.84 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.7 ' HB2' HD12 ' A' ' 40' ' ' LEU . 16.2 t-20 -75.96 138.45 69.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -156.097 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.863 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.06 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -122.58 -4.0 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD22 ' HB1' ' A' ' 70' ' ' ALA . 2.4 mt -121.93 -6.76 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -44.31 -56.95 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -61.55 -32.26 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.949 ' HG ' HD21 ' A' ' 47' ' ' LEU . 1.1 tp -64.11 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.63 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -46.49 -60.28 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -38.06 -38.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.73 -71.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.949 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.76 -61.46 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.658 ' HA ' HG23 ' A' ' 58' ' ' VAL . 38.5 p -42.95 -57.72 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 139.68 -22.01 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.502 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 13.3 mt-30 -37.71 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -84.55 -51.12 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.776 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -122.66 128.18 25.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 2.7 6.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -115.87 -2.2 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.776 HG13 ' HB3' ' A' ' 52' ' ' ASN . 3.6 m -114.56 130.69 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.675 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.0 p30 -157.83 84.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.857 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -95.54 14.05 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG22 ' HB1' ' A' ' 31' ' ' ALA . 1.3 t -69.91 -65.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.581 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -42.63 -43.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 62' ' ' ASN . 8.3 m -70.76 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.588 HD22 HG21 ' A' ' 102' ' ' VAL . 2.6 mt -39.57 -29.23 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 60' ' ' THR . 44.6 t30 -95.52 57.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 178.16 106.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.15 142.63 12.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mp0 -63.0 105.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.459 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 14.7 m-30 -114.83 -176.44 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.899 HG23 ' HB ' ' A' ' 151' ' ' THR . 19.7 m -147.75 86.53 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.6 t -52.44 135.15 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.546 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 11.6 m-85 -123.75 70.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.13 129.38 35.62 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -139.793 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.921 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.04 122.2 7.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.769 HG21 HG21 ' A' ' 141' ' ' VAL . 36.0 p -64.8 175.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -67.03 -16.87 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.29 -20.04 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.94 -44.0 51.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.5 m-85 -71.46 -42.08 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -55.32 -44.16 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -40.69 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 83' ' ' THR . 13.3 mt -46.75 153.28 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 138.48 22.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -38.58 -36.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -57.47 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.409 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -53.65 -46.42 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.579 HG22 ' HE3' ' A' ' 88' ' ' LYS . 32.1 mm -62.12 -71.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.493 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 3.1 t70 -40.47 -28.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -73.69 -46.54 45.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.679 ' O ' HD22 ' A' ' 94' ' ' LEU . 4.6 mt -49.79 -32.86 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.96 29.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 86' ' ' GLU . 6.3 t -172.52 31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 86.2 m-20 -119.79 -72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 8.9 t 75.38 0.02 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.44 -48.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -86.44 -17.95 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.897 HD12 HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -87.49 -45.99 10.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 99' ' ' THR . 47.6 m -57.58 -46.64 83.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 1.2 m -51.68 -35.06 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.575 HD13 ' CG1' ' A' ' 158' ' ' VAL . 5.0 mt -68.14 -64.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.897 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -41.23 -56.17 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 102' ' ' VAL . 1.1 p -51.47 -50.97 58.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.702 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.4 t80 -60.29 -16.46 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.651 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 37.5 m-70 -93.74 23.4 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.568 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -157.89 127.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 118' ' ' THR . 20.7 t -106.97 160.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -102.57 105.11 15.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 126.99 86.16 0.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -36.66 131.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 108' ' ' SER . 25.7 m -131.89 170.89 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.421 ' H ' HG22 ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.52 162.41 22.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.566 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.52 -46.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.04 -22.2 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.433 HG13 HG11 ' A' ' 126' ' ' VAL . 9.8 p -51.29 -24.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 126' ' ' VAL . 15.6 t -61.13 131.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.16 164.18 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.416 ' H ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -72.69 86.94 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.4 OUTLIER -76.68 -173.53 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -130.96 98.91 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.777 ' HA ' HG22 ' A' ' 103' ' ' VAL . 66.8 p -54.53 150.6 8.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.074 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -53.21 -24.05 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 1.074 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -62.88 -46.59 87.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 139.19 -26.36 2.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -77.62 161.11 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -93.96 138.02 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.1 p -110.34 106.68 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.5 m -69.12 105.38 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.786 HG22 HG22 ' A' ' 135' ' ' VAL . 45.4 t -99.64 140.51 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.549 ' HA ' HG13 ' A' ' 113' ' ' VAL . 8.7 m -135.57 175.4 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.504 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 127' ' ' THR . 5.9 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.782 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -129.59 164.59 23.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.816 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 1.7 t -166.33 129.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 29.48 79.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER 39.54 49.83 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.87 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -147.96 172.03 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.7 m-20 -122.59 121.56 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 74.5 t -61.42 112.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.769 HG21 HG21 ' A' ' 72' ' ' THR . 2.4 t -80.63 -43.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.588 ' HA ' HG12 ' A' ' 4' ' ' VAL . 36.5 t -163.06 119.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -122.46 -171.63 13.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 60.97 18.74 55.24 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.774 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.4 t -86.57 57.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -47.2 133.44 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.75 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 3.2 p -100.79 -105.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -104.05 -65.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.439 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -131.07 38.47 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.617 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -171.61 154.71 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.899 ' HB ' HG23 ' A' ' 67' ' ' THR . 58.5 m -92.73 176.5 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.587 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -140.4 131.43 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.504 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 76.8 m-85 -140.33 91.33 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.555 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -63.5 145.28 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.765 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -138.32 176.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -112.85 31.08 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.87 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.9 m -156.28 145.07 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.626 ' O ' ' N ' ' A' ' 160' ' ' MET . 89.3 t -73.73 13.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 157' ' ' SER . 7.2 mt 48.38 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.702 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 21.9 mtp 77.2 138.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.436 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 127.2 10.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.582 HG21 ' CB ' ' A' ' 109' ' ' PRO . 33.8 m -136.83 137.8 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.24 156.08 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 177.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.51 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -62.11 -37.11 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -29.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.93 -75.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -44.6 -52.07 8.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ALA . 52.3 t80 -37.31 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.9 -51.42 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -46.58 -47.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.9 -52.36 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.27 80.55 12.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.01 -27.99 9.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.5 p -140.89 -159.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.19 -171.13 54.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.69 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -85.93 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.511 ' O ' ' CE ' ' A' ' 25' ' ' MET . 77.5 p -129.46 177.89 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.956 HG22 ' CG1' ' A' ' 145' ' ' VAL . 4.9 t -72.31 -40.51 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.0 tp60 -89.5 -49.71 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.17 -27.8 2.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.692 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 12.9 ptp -92.96 -22.51 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLN . 2.2 m -64.82 -12.75 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -93.28 11.09 29.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 76.6 m-20 -128.28 152.01 77.28 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 96.9 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.716 HG22 ' N ' ' A' ' 31' ' ' ALA . 3.8 p 29.86 -113.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.716 ' N ' HG22 ' A' ' 30' ' ' VAL . . . -12.06 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.55 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 56.5 t -34.34 -60.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.692 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -40.26 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' C ' HG21 ' A' ' 44' ' ' THR . . . -48.01 -29.35 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.76 ' N ' HG21 ' A' ' 44' ' ' THR . 1.6 p -78.72 47.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -160.16 -40.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.93 ' O ' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -50.55 133.16 26.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 171.38 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 3.64 5.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 2.5 mm-40 -121.8 -3.3 9.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD22 ' HB1' ' A' ' 70' ' ' ALA . 38.8 mt -114.13 -30.84 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.6 p -37.79 -33.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.679 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.1 t -70.54 -51.72 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.876 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.94 -54.35 46.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.76 HG21 ' N ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -47.0 -60.72 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -37.82 -40.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.62 -73.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -45.59 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 11.9 p -41.39 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 152.85 -19.42 0.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.98 -22.14 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.746 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD21 ' HE2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -109.36 -46.65 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.8 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -110.79 98.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 11.06 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -122.87 2.98 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.8 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -125.06 175.62 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.7 p30 175.2 113.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 99' ' ' THR . 0.6 OUTLIER -123.99 -41.1 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG13 ' H ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -22.58 -70.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.706 ' H ' HG13 ' A' ' 58' ' ' VAL . 5.0 m-20 -37.58 -57.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 57' ' ' LEU . 14.1 m -57.78 -55.91 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' HG11 ' A' ' 30' ' ' VAL . 8.5 mt -36.16 -43.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -85.01 50.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 60' ' ' THR . 26.7 t -112.15 -91.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -106.13 176.06 21.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.2 mt-30 -56.24 106.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.518 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 8.8 m-30 -110.56 -174.36 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.894 HG23 ' HB ' ' A' ' 151' ' ' THR . 24.8 m -151.26 87.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.9 t -52.7 133.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.651 ' CD2' HG23 ' A' ' 103' ' ' VAL . 13.9 m-85 -125.11 66.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.02 131.81 29.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -138.347 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.876 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.94 114.41 4.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.579 HG21 HG21 ' A' ' 141' ' ' VAL . 19.8 p -58.47 179.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -73.94 -7.87 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -90.88 -22.84 20.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HB2' ' N ' ' A' ' 157' ' ' SER . . . -75.85 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.748 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.3 m-85 -55.18 -43.36 74.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -48.73 -54.46 14.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' SER . 6.6 mtmt -37.26 -57.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 79' ' ' LEU . 6.4 mt -49.82 145.12 9.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.0 147.08 33.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.42 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -49.61 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.97 -53.07 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.52 -57.28 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.91 -22.44 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 4.2 tp10 -80.18 -50.61 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.834 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.7 mt -55.08 -26.46 37.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HE2' HD21 ' A' ' 51' ' ' LEU . 22.9 mttt -78.73 1.77 21.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 p -141.48 12.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.543 ' ND2' HD23 ' A' ' 87' ' ' LEU . 26.7 m-20 -107.37 -163.02 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 95' ' ' THR . 5.3 p 173.83 -30.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -105.54 33.76 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.81 -44.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -77.32 -52.03 9.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 91' ' ' SER . 1.8 m -40.83 -44.11 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -54.24 -48.28 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.69 HG22 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -57.5 -55.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.69 HD23 HG22 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -50.21 -61.5 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.733 HG22 HD21 ' A' ' 57' ' ' LEU . 2.2 p -49.87 -41.28 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.712 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.8 t80 -67.48 -17.85 64.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.708 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 26.8 m-70 -90.31 19.56 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.576 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.77 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.651 HG23 ' CD2' ' A' ' 69' ' ' PHE . 56.0 t -103.06 152.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.17 95.88 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.63 100.39 0.33 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 133.23 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.653 HG21 ' NH2' ' A' ' 116' ' ' ARG . 17.5 m -152.63 147.16 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.4 p -78.69 164.5 55.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.582 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 49.07 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.14 21.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 112' ' ' VAL . 5.3 m120 -157.63 -52.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.46 -42.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 111' ' ' ASN . 3.0 t -39.76 159.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 113' ' ' VAL . . . 105.67 -136.65 13.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.8 m -126.93 99.11 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.653 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -92.46 -179.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -125.66 97.78 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 103' ' ' VAL . 19.3 p -54.45 167.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.676 HD11 HG22 ' A' ' 99' ' ' THR . 0.5 OUTLIER -67.83 -25.37 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 30.9 tp60 -66.45 -11.95 54.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.5 -21.84 42.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -77.91 168.09 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.7 m -100.82 144.51 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.34 117.13 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -78.98 91.02 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.823 HG13 ' CG2' ' A' ' 135' ' ' VAL . 24.3 t -86.31 147.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.467 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -153.32 172.97 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 133' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 135' ' ' VAL . 9.3 mttt -131.9 159.91 37.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.823 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.4 t -156.98 118.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 48.86 39.5 25.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.1 t30 89.14 -29.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.809 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -61.1 174.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.6 m-20 -122.91 112.09 17.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 154' ' ' MET . 57.4 t -56.7 97.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -66.65 -52.35 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 17.9 t -150.94 105.24 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.85 165.01 12.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.05 17.66 62.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.956 ' CG1' HG22 ' A' ' 22' ' ' VAL . 2.1 t -88.22 53.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.532 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.3 m -44.57 122.95 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.7 OUTLIER -87.58 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.34 -74.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -120.99 34.79 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.596 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -167.53 147.85 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.894 ' HB ' HG23 ' A' ' 67' ' ' THR . 20.6 m -85.12 176.76 8.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.569 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -141.51 126.23 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.52 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.2 m-85 -136.39 88.39 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 72' ' ' THR . 2.0 mtm -60.67 137.79 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.809 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.4 pp -135.26 161.35 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 13.5 p-10 -104.08 51.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.63 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.4 m -169.14 141.09 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 158' ' ' VAL . 62.7 t -82.13 68.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.749 HD11 ' CG1' ' A' ' 135' ' ' VAL . 18.9 mt -27.27 140.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.712 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -133.04 141.52 41.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.444 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.535 HD12 ' SG ' ' A' ' 142' ' ' CYS . 4.3 mm? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.756 ' CG1' HD22 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -141.03 9.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -128.59 151.3 18.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -169.307 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.607 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.98 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.748 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.15 -58.31 1.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -36.24 -34.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -63.5 -64.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.0 tt0 -70.55 -54.46 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.6 t80 -39.65 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.62 -45.56 4.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -40.32 -32.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.85 -41.18 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -121.01 79.39 33.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -41.44 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' OG ' ' A' ' 21' ' ' SER . 77.3 p -124.79 -164.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.64 -174.93 50.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.33 20.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.842 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -103.14 45.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.432 ' OG ' ' C ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -125.19 173.52 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.959 HG13 HG13 ' A' ' 145' ' ' VAL . 3.5 t -63.42 -44.25 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -87.95 -47.58 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.21 -51.84 7.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.784 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 7.4 ptp -57.04 -20.85 26.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 5.3 t -61.35 -38.89 88.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.0 -7.79 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.505 ' CG ' HG12 ' A' ' 32' ' ' VAL . 74.7 m-20 -104.63 145.14 30.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.94 98.03 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.9 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.4 p 30.68 -122.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.763 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.24 -70.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.551 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 79.4 t -31.06 -63.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -30.64 -70.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.75 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -48.88 -45.61 41.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 1.118 ' N ' HG21 ' A' ' 44' ' ' THR . 4.7 m -51.78 -20.26 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 1.4 m-80 -138.99 28.76 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.692 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -85.13 133.17 43.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 129.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.842 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.759 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.2 mt-10 -116.01 -18.59 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.046 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.16 -16.58 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -38.28 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 40' ' ' LEU . 4.3 m -72.93 -54.72 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.695 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -53.99 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 1.118 HG21 ' N ' ' A' ' 35' ' ' SER . 81.3 p -47.78 -60.56 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.52 -39.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.698 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.06 -69.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.695 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.47 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.36 -67.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.26 -18.62 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.6 mt-30 -46.16 -24.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -98.32 -53.62 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -120.33 116.13 32.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 13.01 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.9 mt-30 -119.59 8.66 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.514 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 39.0 t -127.99 158.13 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -177.27 107.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.687 HD11 HG23 ' A' ' 99' ' ' THR . 13.7 mt -116.6 -36.87 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.776 HG13 ' H ' ' A' ' 59' ' ' ASP . 1.3 p -28.33 -72.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.776 ' H ' HG13 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.86 -50.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.4 m -66.77 -55.8 13.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.9 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.66 -26.47 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' VAL . 38.8 t30 -91.09 49.4 1.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -177.28 104.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.1 138.67 8.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.1 mt-30 -62.14 101.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.4 m-30 -112.19 -175.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.854 HG23 ' HB ' ' A' ' 151' ' ' THR . 14.9 m -143.48 86.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' A' ' 70' ' ' ALA . 61.7 t -52.34 134.61 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -125.42 68.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -102.13 124.9 38.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -139.387 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.774 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.561 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 76.8 p -56.39 -160.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.47 -25.9 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.99 -2.15 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -95.46 -48.72 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 51.1 m-85 -77.85 -36.78 49.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -55.96 -21.82 23.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 4.4 mtmt -66.14 -51.34 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 83' ' ' THR . 51.9 mt -62.75 151.55 84.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.9 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.48 -33.53 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.96 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.576 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -58.97 -45.13 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.2 -45.63 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -23.28 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -79.45 -47.89 14.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 6.9 mt -59.49 -16.63 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.756 ' O ' HG23 ' A' ' 89' ' ' THR . 21.3 mtmt -88.9 15.19 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.44 32.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.587 ' ND2' HD23 ' A' ' 93' ' ' LEU . 97.2 m-20 -116.81 -73.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.514 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 29.5 t 67.22 11.06 8.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.5 p -133.74 -44.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.587 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -89.12 -22.86 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.973 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.49 -47.44 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.43 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 38.1 m -50.96 -34.67 29.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -62.84 -36.88 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 101' ' ' HIS . 4.0 mt -69.81 -57.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.973 HD21 HD12 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -43.97 -62.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.893 HG22 HD22 ' A' ' 119' ' ' LEU . 3.3 p -49.04 -49.69 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.644 ' CE2' ' O ' ' A' ' 160' ' ' MET . 30.3 t80 -62.41 -9.1 7.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.798 ' CE1' HD11 ' A' ' 155' ' ' ILE . 21.8 m-70 -101.17 25.16 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -157.85 120.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 1.028 HG13 ' O ' ' A' ' 117' ' ' GLN . 73.0 t -102.06 139.79 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 116.38 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.22 86.01 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.3 OUTLIER -39.15 146.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 0.736 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.0 m -159.86 159.14 32.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -98.76 165.58 14.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -138.61 -46.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -99.26 -30.93 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.714 HG13 HG11 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -42.72 -33.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.75 HG23 ' HA ' ' A' ' 127' ' ' THR . 2.4 p -55.97 131.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.44 -170.6 13.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.4 m -71.14 110.09 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.748 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -120.55 125.1 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 1.028 ' O ' HG13 ' A' ' 103' ' ' VAL . 29.4 tt0 -70.25 124.57 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.617 HG22 HG22 ' A' ' 103' ' ' VAL . 43.9 p -96.29 170.82 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.893 HD22 HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -51.37 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -36.16 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 115.07 -23.83 11.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -63.21 -170.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 p -123.41 139.01 54.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 116' ' ' ARG . 11.0 p -114.35 106.17 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 m -74.37 79.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.714 HG11 HG13 ' A' ' 112' ' ' VAL . 21.4 t -67.26 154.63 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.75 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -153.52 179.11 9.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.756 HD22 ' CG1' ' A' ' 4' ' ' VAL . 2.8 mp . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 135' ' ' VAL . 2.5 mtmm -116.51 166.52 12.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.697 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.1 t -155.79 123.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 38.65 45.71 2.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 17.2 t-20 88.91 -42.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -56.28 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.806 ' O ' HG22 ' A' ' 155' ' ' ILE . 6.2 m-20 -123.06 173.76 7.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 74.3 t -114.23 95.09 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.748 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -63.78 -53.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' A' ' 145' ' ' VAL . 41.2 t -154.22 104.12 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.76 162.17 12.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.79 69.43 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.959 HG13 HG13 ' A' ' 22' ' ' VAL . 5.3 t -88.53 53.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 0.9 OUTLIER -37.48 112.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.645 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.0 OUTLIER -78.06 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.8 -84.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -111.06 39.66 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -175.83 151.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.854 ' HB ' HG23 ' A' ' 67' ' ' THR . 7.2 m -80.01 177.69 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 151' ' ' THR . 1.6 t -142.22 123.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.567 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.9 m-85 -134.47 84.69 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.572 ' SD ' HD21 ' A' ' 40' ' ' LEU . 12.7 mtm -61.46 137.74 58.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.806 HG22 ' O ' ' A' ' 139' ' ' ASP . 7.2 pt -125.53 179.31 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.481 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 5.5 p-10 -115.76 27.42 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -158.46 138.43 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 158' ' ' VAL . 1.1 m -74.04 61.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 158' ' ' VAL . 1.2 tp -20.3 133.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.644 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.3 mtt -124.92 148.79 60.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.449 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 138.91 23.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.734 HD13 ' SG ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.821 HG21 ' HB2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -104.25 -5.66 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -114.91 149.93 18.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -159.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.99 -65.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.24 -37.09 4.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.734 ' SG ' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.11 -38.76 40.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.82 -65.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -65.83 -49.76 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' ALA . 85.0 t80 -34.89 -60.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -36.63 -60.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . . . -39.77 -47.55 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.9 -52.33 51.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CG ' ' HB3' ' A' ' 20' ' ' ALA . 42.2 m-80 -121.14 79.01 34.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.97 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.2 p -119.6 -10.84 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.79 -178.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.15 3.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -66.89 -9.7 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -61.82 165.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.084 HG12 HG13 ' A' ' 145' ' ' VAL . 27.0 m -58.56 -38.85 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' SER . 2.5 tp60 -88.23 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.57 -20.35 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.708 ' HG3' HG22 ' A' ' 147' ' ' THR . 18.5 ptp -102.21 -17.02 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' HA ' ' C ' ' A' ' 147' ' ' THR . 74.0 m -62.96 -36.74 84.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.36 -10.73 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 46.7 m-20 -104.8 145.97 31.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.618 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.778 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 27.86 -103.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.778 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -17.84 -78.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.618 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 71.0 t -34.52 -60.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -37.63 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.875 ' C ' HG21 ' A' ' 44' ' ' THR . . . -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.775 ' N ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -76.31 48.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -170.15 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.898 ' O ' HG23 ' A' ' 41' ' ' THR . 15.9 m-80 -48.43 127.63 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 160.574 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.635 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 4.55 4.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.449 1.763 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.714 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.2 mm-40 -119.92 -6.81 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.714 HD23 ' C ' ' A' ' 39' ' ' GLU . 7.5 mt -115.65 -32.51 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.1 p -34.24 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.4 m -69.06 -56.83 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.919 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.09 -51.81 68.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.875 HG21 ' C ' ' A' ' 34' ' ' ALA . 5.1 p -47.56 -54.99 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -42.81 -38.62 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.77 -70.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -47.6 -61.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.924 ' HA ' HG23 ' A' ' 58' ' ' VAL . 88.5 p -42.24 -48.64 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 131.85 -22.15 4.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 5.5 mm-40 -38.36 -56.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -56.6 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.63 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -112.12 118.52 45.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 4.04 5.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.33 5.27 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 47' ' ' LEU . 2.3 t -128.41 153.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -169.1 93.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.87 14.22 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.924 HG23 ' HA ' ' A' ' 48' ' ' SER . 1.9 t -66.86 -33.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -81.63 -37.87 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 63' ' ' SER . 18.3 m -67.37 -62.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.756 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 6.8 mt -39.15 -48.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 29' ' ' PRO . 8.8 t-20 -81.74 51.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 60' ' ' THR . 14.4 t -108.79 -93.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.82 177.97 19.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -49.33 105.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.5 m-30 -112.7 -175.37 2.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.98 HG23 ' HB ' ' A' ' 151' ' ' THR . 34.8 m -153.59 87.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.885 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.4 t -51.03 134.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 8.7 m-85 -125.83 65.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.885 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.91 129.53 32.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -137.548 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.914 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 117.24 4.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 155' ' ' ILE . 39.9 p -60.76 170.05 1.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -61.38 -35.02 76.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.74 -28.53 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HA ' ' HZ1' ' A' ' 78' ' ' LYS . . . -70.0 -46.38 65.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 28.5 m-85 -68.86 -42.59 76.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -49.18 -49.59 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HZ3' ' HA ' ' A' ' 157' ' ' SER . 4.3 mtmp? -40.75 -65.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.499 HD13 HG21 ' A' ' 83' ' ' THR . 6.4 mt -42.71 146.96 0.67 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.99 -50.27 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 p -40.93 -51.3 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.499 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -58.41 -49.7 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.53 -49.45 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.74 -21.5 41.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -48.96 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.1 mt -56.12 -20.82 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -85.74 12.49 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.1 t -163.9 36.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 91' ' ' SER . 94.0 m-20 -114.71 -90.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 t 88.26 2.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 t -126.77 -46.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 tp -85.7 -25.25 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.948 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.69 -49.44 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 99' ' ' THR . 2.5 m -47.99 -42.77 28.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 14.1 m -60.06 -37.04 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 101' ' ' HIS . 3.1 mt -66.88 -60.15 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.948 HD21 HD12 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -43.67 -62.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 95' ' ' THR . 79.1 p -48.18 -45.35 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CE2' ' O ' ' A' ' 160' ' ' MET . 47.4 t80 -69.09 -10.67 58.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.645 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 11.6 m-70 -100.4 17.54 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -156.1 117.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 117' ' ' GLN . 71.5 t -94.18 148.94 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.56 101.61 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.38 -55.03 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 2.3 tt0 76.89 133.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 67.0 m -147.3 -91.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER 168.17 163.58 0.15 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.956 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.821 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -152.95 -44.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 20.7 m-20 -98.92 -37.38 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.601 HG13 HG11 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -41.15 -27.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' A' ' 127' ' ' THR . 10.0 p -59.69 138.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.67 170.38 20.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.59 103.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.588 ' HB2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -104.7 -177.28 3.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.904 ' O ' HG13 ' A' ' 103' ' ' VAL . 12.8 tt0 -126.33 128.8 47.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.167 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.455 ' HA ' HG22 ' A' ' 103' ' ' VAL . 69.2 p -94.45 146.5 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -43.19 -28.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.546 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 1.5 tm0? -56.86 -55.7 31.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.19 -23.26 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.43 175.21 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.5 m -103.69 143.71 32.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.5 p -114.97 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 m -69.76 93.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.605 HG13 HG22 ' A' ' 135' ' ' VAL . 13.2 t -86.23 160.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.657 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -155.87 165.6 35.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 180.0 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.555 ' CD1' HG13 ' A' ' 4' ' ' VAL . 7.0 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 156.22 27.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.605 HG22 HG13 ' A' ' 126' ' ' VAL . 2.3 t -139.92 118.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 55.76 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.3 t30 -143.1 21.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -119.35 -179.63 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 20.3 m-20 -125.14 118.71 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -54.68 121.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.449 HG23 ' CA ' ' A' ' 155' ' ' ILE . 2.4 t -94.36 -40.91 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 145' ' ' VAL . 9.7 t -159.27 101.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 152' ' ' VAL . . . -115.32 155.57 16.23 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.51 22.1 32.59 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.084 HG13 HG12 ' A' ' 22' ' ' VAL . 6.0 t -95.58 57.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 21.0 m -45.01 126.26 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.708 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.8 OUTLIER -91.16 -97.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -107.77 -72.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -125.64 30.07 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.648 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -160.3 149.15 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.98 ' HB ' HG23 ' A' ' 67' ' ' THR . 41.9 m -85.87 176.22 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.577 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -136.79 126.61 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.56 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 83.6 m-85 -138.29 87.12 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.49 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.32 147.5 53.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.76 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -136.47 178.48 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -118.78 45.36 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.569 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -170.47 141.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 158' ' ' VAL . 41.3 t -75.52 68.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -33.61 127.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.659 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 8.5 mtt -123.33 149.47 58.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.426 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.94 120.87 6.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 133' ' ' LEU . 10.0 p -148.28 156.53 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.69 156.59 23.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -160.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.4 Cg_endo -75.0 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.68 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.51 -47.91 4.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -40.45 -35.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PRO . . . -69.43 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.4 mm-40 -46.08 -55.07 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLY . 60.0 t80 -37.18 -64.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.34 -47.79 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -51.95 -37.97 54.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.19 -44.1 20.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -127.3 78.48 74.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.7 p -137.67 -155.18 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.15 -175.3 51.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.35 20.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.781 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.22 38.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.449 ' O ' ' HE3' ' A' ' 25' ' ' MET . 52.4 p -118.12 165.66 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 HG13 ' A' ' 145' ' ' VAL . 21.7 m -64.32 -32.9 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.703 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -94.36 -47.03 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.09 -19.72 5.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.815 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 18.4 ptp -101.3 -14.63 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -67.22 -22.03 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -84.14 -1.7 55.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' CG ' HG12 ' A' ' 32' ' ' VAL . 78.2 m-20 -112.33 147.99 38.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.5 Cg_endo -74.98 99.49 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.904 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.9 p 29.09 -121.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.8 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.4 -72.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.4 t -32.28 -61.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.815 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.61 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.741 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -41.28 -29.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.691 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.1 OUTLIER -77.71 48.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -166.22 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.693 ' O ' HG23 ' A' ' 41' ' ' THR . 4.4 m-20 -51.99 132.43 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 168.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.781 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.07 6.39 3.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.583 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -124.13 -0.93 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.741 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 20.8 mt -120.22 -34.17 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -38.54 -36.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.699 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.5 t -67.44 -50.54 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.838 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.43 -55.35 35.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.691 HG21 ' CB ' ' A' ' 35' ' ' SER . 59.0 m -45.74 -62.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -36.41 -40.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.17 -68.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.721 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -53.91 -61.86 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.7 p -40.47 -67.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.31 -19.94 0.94 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.9 mt-30 -45.42 -24.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 0.768 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -98.54 -52.06 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.639 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -121.62 116.54 30.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 10.74 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.0 mt-30 -119.24 13.57 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 137.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -157.68 83.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 99' ' ' THR . 4.0 mp -87.18 -32.68 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.702 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.0 p -29.6 -64.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.702 ' H ' HG13 ' A' ' 58' ' ' VAL . 4.1 m-20 -42.6 -53.95 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 23.9 m -61.31 -54.74 40.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.904 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.99 -24.01 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -94.38 50.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.87 108.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.15 133.01 7.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.4 mt-30 -54.23 105.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.556 ' HB3' HG23 ' A' ' 102' ' ' VAL . 12.1 m-30 -111.94 -173.28 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.818 HG23 ' HB ' ' A' ' 151' ' ' THR . 22.5 m -149.38 85.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.806 HG12 ' HB2' ' A' ' 70' ' ' ALA . 66.2 t -51.64 132.21 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.658 ' CD2' HG23 ' A' ' 103' ' ' VAL . 11.8 m-85 -122.37 71.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.806 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.98 132.19 26.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -138.617 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.838 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.97 122.97 7.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.524 HG21 HG21 ' A' ' 141' ' ' VAL . 17.2 p -69.79 170.12 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -13.23 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.78 -22.11 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . . . -77.02 -61.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.782 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 61.9 m-85 -54.97 -27.12 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 1.2 m -62.51 -52.93 61.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmm -37.06 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.65 HD21 ' CG2' ' A' ' 158' ' ' VAL . 0.0 OUTLIER -36.49 148.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.04 33.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.57 1.827 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.07 -41.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -57.02 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -46.57 -47.2 19.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.1 -46.34 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -20.52 40.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 89' ' ' THR . 14.2 tp10 -82.65 -51.72 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.526 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.4 mt -54.8 -19.11 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -84.44 7.32 20.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 86' ' ' GLU . 10.6 t -147.53 15.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' A' ' 87' ' ' LEU . 4.0 m-20 -118.48 162.72 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 p -154.71 22.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.77 -47.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -79.1 -27.26 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.959 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.48 -43.91 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.0 m -51.09 -52.0 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -45.45 -45.2 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.753 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -60.38 -56.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.959 HD21 HD12 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -50.96 -60.25 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.919 HG22 HD11 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -50.63 -44.75 57.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.701 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.0 t80 -66.77 -12.95 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.605 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 40.8 m-70 -95.39 23.7 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.883 HG13 HD23 ' A' ' 119' ' ' LEU . 1.1 p -163.72 116.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 117' ' ' GLN . 74.3 t -94.86 146.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 104.67 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 127.44 110.98 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.9 tt0 -67.44 131.52 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.1 m -150.78 130.2 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 p -63.72 166.85 8.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.575 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 50.79 2.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.06 -45.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.409 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 23.2 m120 -96.63 -26.91 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.495 HG13 HG11 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -46.9 -24.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 127' ' ' THR . 93.8 t -65.88 139.87 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.88 -166.68 12.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.8 m -83.99 99.01 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.584 ' HD2' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -94.01 177.6 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.889 ' O ' HG13 ' A' ' 103' ' ' VAL . 38.6 tt0 -133.4 115.61 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.616 HG21 ' CD1' ' A' ' 100' ' ' TYR . 49.3 p -75.44 163.78 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.919 HD11 HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -65.18 -27.23 68.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 33.6 tp60 -59.38 -20.08 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 105.63 -12.57 46.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.49 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -85.32 176.93 8.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 p -109.64 138.62 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.6 p -112.66 108.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -75.59 98.37 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.761 HG13 HG22 ' A' ' 135' ' ' VAL . 3.6 t -94.37 150.13 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.556 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -146.63 169.52 18.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.955 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.605 HD12 HG22 ' A' ' 4' ' ' VAL . 7.3 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' CE ' ' O ' ' A' ' 138' ' ' ALA . 1.2 mtpt -119.09 159.12 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.761 HG22 HG13 ' A' ' 126' ' ' VAL . 5.8 t -143.41 112.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.61 -80.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -150.03 21.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -118.21 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.46 ' N ' ' OD2' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -113.4 118.21 33.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 84.1 t -59.93 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.68 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.4 t -69.14 -57.23 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 9.9 t -144.69 105.25 4.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.81 159.57 13.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.24 14.62 57.14 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.736 HG13 HG12 ' A' ' 22' ' ' VAL . 1.7 t -82.19 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.8 m -47.23 112.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.2 OUTLIER -81.48 -96.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -114.49 -85.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -109.81 37.94 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.506 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -174.85 150.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.818 ' HB ' HG23 ' A' ' 67' ' ' THR . 18.5 m -88.05 179.87 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.633 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -145.91 125.97 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.553 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 89.0 m-85 -133.78 90.61 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.531 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -60.43 133.68 56.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -129.99 164.24 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 20.5 p-10 -102.92 47.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.746 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -172.9 146.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.65 ' CG2' HD21 ' A' ' 79' ' ' LEU . 72.6 t -73.2 12.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.7 HD21 HG12 ' A' ' 135' ' ' VAL . 11.5 mt 50.45 -83.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.701 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.8 mtt 79.27 136.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.426 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.34 11.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.27 141.72 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.83 155.38 17.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 175.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.715 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -38.86 -34.65 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -41.55 -50.36 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -71.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.32 -52.18 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 12' ' ' ALA . 12.1 t80 -54.3 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -47.3 -47.32 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -26.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.72 -31.22 12.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 4.5 m-80 -134.69 71.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' GLY . 12.8 p -115.98 -13.99 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -49.88 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -87.18 49.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.481 ' O ' ' CE ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -124.04 -176.96 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.813 HG22 HG13 ' A' ' 145' ' ' VAL . 7.7 t -64.86 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.71 -34.3 15.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.83 -8.65 42.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.617 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 21.4 ptp -112.07 -30.69 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 147' ' ' THR . 41.1 t -50.8 -48.21 59.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -52.7 -18.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 13.3 m-20 -101.67 152.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.06 99.25 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.932 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 25.09 -94.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.932 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -24.34 -85.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.637 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 55.9 t -35.4 -49.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -41.41 -50.7 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -65.99 -31.04 71.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.91 ' HB2' HG21 ' A' ' 44' ' ' THR . 3.4 t -57.21 -14.41 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -88.9 -38.34 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.79 ' O ' HG23 ' A' ' 41' ' ' THR . 0.8 OUTLIER -64.16 134.24 95.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -167.247 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.803 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 7.92 2.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.8 mm-40 -123.87 -8.94 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.75 HD22 ' HB1' ' A' ' 70' ' ' ALA . 9.4 mt -116.91 -11.21 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -37.84 -50.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -64.82 -42.83 94.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.922 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.19 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.91 HG21 ' HB2' ' A' ' 35' ' ' SER . 3.2 m -45.04 -57.51 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -40.43 -41.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.49 -70.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.922 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.48 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 8.6 t -43.67 -70.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 155.71 -21.95 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -42.74 -26.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -106.32 -47.28 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.848 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.73 90.43 18.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 15.09 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.9 mt-30 -119.52 10.67 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 52' ' ' ASN . 5.8 p -158.69 153.87 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.807 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -154.44 112.36 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.906 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.34 -30.94 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 43.2 t -34.62 -63.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' VAL . 63.5 m-20 -37.08 -44.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.2 m -76.71 -56.34 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 47' ' ' LEU . 3.9 mt -35.43 -38.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' THR . 44.9 t30 -91.87 52.83 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.4 m -112.66 -91.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -177.41 24.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 5.1 mt-30 -60.76 106.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.7 m-30 -111.22 -173.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.985 HG23 ' HB ' ' A' ' 151' ' ' THR . 30.8 m -151.81 89.89 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.854 HG12 ' HB2' ' A' ' 70' ' ' ALA . 6.2 t -53.23 135.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.2 m-85 -125.42 69.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.854 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.73 130.54 26.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -137.319 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.798 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 125.75 9.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.803 HG23 ' O ' ' A' ' 155' ' ' ILE . 26.7 p -67.89 174.5 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -14.82 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.61 -21.95 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.35 -42.13 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.779 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 35.7 m-85 -72.48 -39.19 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -56.25 -42.73 77.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -44.57 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.8 mt -40.09 151.66 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.94 140.73 25.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.1 -44.4 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.5 p -45.08 -43.29 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.94 -51.52 54.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.488 HG22 ' HD2' ' A' ' 88' ' ' LYS . 38.6 mm -57.52 -55.9 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -24.65 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 89' ' ' THR . 0.7 OUTLIER -78.53 -40.95 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD23 ' ND2' ' A' ' 90' ' ' ASN . 5.3 mt -65.6 -19.18 65.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' HG22 ' A' ' 84' ' ' ILE . 5.5 mtpt -90.68 34.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 86' ' ' GLU . 9.8 t -173.72 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.557 ' ND2' HD23 ' A' ' 87' ' ' LEU . 92.1 m-20 -39.92 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER 82.02 -7.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 p -127.09 16.22 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -151.63 -43.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.982 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -59.7 -41.37 90.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.417 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.1 -37.33 21.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 1.5 m -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.599 HD11 ' HE2' ' A' ' 160' ' ' MET . 2.3 mt -69.95 -52.61 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.982 HD21 HD12 ' A' ' 94' ' ' LEU . 1.5 mt -49.61 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' HG13 ' A' ' 102' ' ' VAL . 26.4 p -46.49 -48.34 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.754 ' CE2' ' O ' ' A' ' 160' ' ' MET . 27.1 t80 -60.7 -18.25 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 32.3 m-70 -92.71 20.97 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -159.03 127.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 118' ' ' THR . 34.8 t -106.33 158.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.827 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -102.95 95.51 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.07 96.56 0.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 123.42 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.427 ' HB ' HG13 ' A' ' 112' ' ' VAL . 10.8 m -135.24 145.8 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.596 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 51.5 p -80.42 160.37 67.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 45.88 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.32 18.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 113' ' ' VAL . 11.4 m120 -151.9 -51.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -31.31 -37.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.922 HG13 ' HA ' ' A' ' 127' ' ' THR . 52.1 t -49.01 124.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 129.83 177.83 15.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.2 m -68.35 81.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.348 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.53 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -83.23 -178.6 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.535 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.9 tt0 -135.57 117.95 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.89 ' HA ' HG22 ' A' ' 103' ' ' VAL . 14.5 p -88.88 169.11 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 104' ' ' ALA . 14.0 mt -50.09 -54.46 20.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -38.64 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 104.5 -17.02 47.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.68 143.79 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 m -76.5 129.68 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.6 p -103.93 100.35 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.2 m -69.26 92.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.645 HG13 HG22 ' A' ' 135' ' ' VAL . 18.4 t -87.15 153.83 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.922 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -151.85 177.67 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 179.955 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 7.5 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.4 ' HB2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -129.95 155.43 46.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.653 ' CG1' HD21 ' A' ' 159' ' ' LEU . 6.5 t -143.39 115.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.98 -81.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 135' ' ' VAL . 3.6 t30 -146.21 19.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -117.39 -179.41 3.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.92 117.47 24.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 43.9 t -55.61 119.06 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.715 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -87.89 -46.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.458 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.4 t -155.42 103.57 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.22 160.72 13.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.41 18.97 54.19 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.813 HG13 HG22 ' A' ' 22' ' ' VAL . 1.7 t -90.54 56.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 48.4 m -44.71 133.45 5.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.575 HG22 ' SD ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -99.15 -104.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -103.75 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -132.51 42.03 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -174.14 149.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.985 ' HB ' HG23 ' A' ' 67' ' ' THR . 95.9 m -87.31 174.52 8.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.506 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -136.99 128.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.585 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 79.8 m-85 -137.47 88.22 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.487 ' O ' ' HA ' ' A' ' 140' ' ' VAL . 3.9 mtm -60.5 150.11 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.803 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -142.46 178.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.43 35.12 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.74 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -160.79 147.15 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' ' N ' ' A' ' 160' ' ' MET . 85.7 t -75.47 16.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.653 HD21 ' CG1' ' A' ' 135' ' ' VAL . 0.3 OUTLIER 47.07 -81.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.754 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.7 mtp 77.07 139.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.422 ' HD3' HG13 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.958 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 22' ' ' VAL . 1.3 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.836 HG12 ' O ' ' A' ' 143' ' ' GLY . 8.6 p -141.92 175.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.511 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 82.6 151.25 9.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.582 1.176 . . . . 0.0 111.036 169.308 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.72 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.52 -46.24 4.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' SG ' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -39.88 -30.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -75.41 -73.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -53.31 -57.57 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 74.2 t80 -41.19 -63.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.59 -51.76 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.04 -46.77 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.6 -50.31 32.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -117.26 82.01 14.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.9 p -131.45 159.41 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.25 -178.1 16.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.96 21.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -84.45 -32.95 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.48 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.718 ' HB ' HG13 ' A' ' 145' ' ' VAL . 8.4 m -90.44 36.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -150.7 -61.15 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.15 -31.63 11.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.778 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.7 ptp -66.25 -10.1 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 4.4 t -68.99 -38.67 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -69.64 -5.22 23.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.527 ' CG ' HG12 ' A' ' 32' ' ' VAL . 58.5 m-20 -103.89 146.77 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 96.87 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.807 HG11 ' O ' ' A' ' 61' ' ' LEU . 7.3 p 30.55 -118.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.733 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -10.04 -71.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 63.5 t -30.69 -63.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.15 -64.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.579 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -49.84 -49.44 49.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.951 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -51.44 -30.88 21.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.045 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 8.2 m-80 -82.49 -29.01 30.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -63.67 127.73 91.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 172.796 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.0 10.83 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.735 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.51 -18.99 7.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.047 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.27 -9.44 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 37' ' ' ASN . 82.6 p -36.69 -40.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -69.4 -49.78 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.901 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.4 OUTLIER -46.67 -64.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.951 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -47.94 -61.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.33 -42.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.02 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD12 ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -60.5 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.529 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -35.0 -56.64 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.51 -20.4 3.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.39 -23.32 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -108.56 -49.59 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.891 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.79 91.28 21.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.03 15.37 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.452 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.7 mt-30 -117.98 4.92 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.891 HG12 ' HB2' ' A' ' 52' ' ' ASN . 6.3 p -153.01 150.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.592 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.9 p30 -150.19 121.14 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.646 HD21 HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -125.14 4.82 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.767 ' CG2' HD12 ' A' ' 47' ' ' LEU . 6.6 t -74.19 -32.81 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -87.12 -7.58 57.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 m -101.44 -40.59 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.043 HD22 HG21 ' A' ' 102' ' ' VAL . 16.9 mt -69.23 -20.48 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 62' ' ' ASN . 31.3 p-10 -90.4 42.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -164.15 108.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.12 147.99 21.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -67.32 102.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.1 m-30 -113.25 -176.23 2.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.98 HG23 ' HB ' ' A' ' 151' ' ' THR . 21.4 m -145.91 87.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.883 HG12 ' HB2' ' A' ' 70' ' ' ALA . 18.5 t -51.08 134.91 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.448 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.6 m-85 -124.81 63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.883 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.99 129.46 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -138.504 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.901 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.0 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 155' ' ' ILE . 77.1 p -55.47 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.96 -28.6 39.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.29 -10.03 59.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.48 -75.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 71.3 m-85 -47.08 -25.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.6 t -68.18 -49.33 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -46.38 -50.69 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.707 HD11 ' HB ' ' A' ' 158' ' ' VAL . 32.1 mt -59.67 150.02 68.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.0 160.76 39.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.6 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.8 p -47.72 -47.33 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -46.36 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.2 mm -63.61 -47.63 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -16.85 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.76 -46.34 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' HB3' HD13 ' A' ' 94' ' ' LEU . 6.6 mt -61.72 -20.43 63.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -86.41 12.31 10.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 t -162.2 36.37 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.56 ' ND2' HD23 ' A' ' 93' ' ' LEU . 88.0 m-20 -114.13 -91.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.9 OUTLIER 82.35 -11.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -116.45 -12.46 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -123.94 -41.54 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -66.08 -40.5 90.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 96' ' ' SER . 12.1 t -45.15 -52.2 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -49.53 -44.09 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.943 HG22 HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.0 -64.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 94' ' ' LEU . 1.5 mt -44.77 -61.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.646 HG22 HD21 ' A' ' 57' ' ' LEU . 21.8 p -51.57 -47.97 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.643 ' CE2' ' O ' ' A' ' 160' ' ' MET . 53.4 t80 -60.77 -17.6 50.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.721 ' CE1' HD11 ' A' ' 155' ' ' ILE . 15.7 m-70 -92.86 24.47 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.043 HG21 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -158.87 126.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.884 HG22 ' HA ' ' A' ' 118' ' ' THR . 3.7 t -102.71 164.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.519 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -123.67 109.71 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 157.65 -42.41 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.439 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 76.6 116.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.966 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 4.8 m -154.08 134.68 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.423 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.3 p -60.86 169.29 2.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.31 -10.31 28.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 4.0 m120 -124.99 -42.6 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.811 HG13 HG11 ' A' ' 126' ' ' VAL . 0.6 OUTLIER -38.65 -31.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.513 HG13 ' HA ' ' A' ' 127' ' ' THR . 73.7 t -47.96 137.34 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.22 -171.19 24.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 m -70.56 127.73 33.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.736 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.9 tpm_? -128.83 133.2 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.461 ' HB3' HH21 ' A' ' 116' ' ' ARG . 56.4 tt0 -75.4 118.45 18.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.884 ' HA ' HG22 ' A' ' 103' ' ' VAL . 22.8 p -77.95 161.71 27.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 1.031 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -65.1 -25.7 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 1.031 ' N ' HD23 ' A' ' 119' ' ' LEU . 27.3 tp60 -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.92 5.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -67.51 -179.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 p -115.53 149.29 38.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.1 p -123.11 127.6 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.7 m -84.84 98.15 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.811 HG11 HG13 ' A' ' 112' ' ' VAL . 10.0 t -92.59 163.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.538 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -158.54 169.99 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.442 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 5.7 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.1 OUTLIER -128.7 157.06 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.748 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -154.25 123.97 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 40.0 42.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.4 t-20 89.06 -40.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.582 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -51.54 173.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -118.64 117.33 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.02 99.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.72 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.77 -56.92 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.4 t -153.04 108.03 3.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.836 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -114.11 171.11 13.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.04 77.41 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.718 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.0 t -88.34 58.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 35.0 m -41.72 111.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.596 HG21 ' CB ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -81.39 -98.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -110.04 -89.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -106.54 38.53 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.506 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -176.92 152.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.98 ' HB ' HG23 ' A' ' 67' ' ' THR . 90.9 m -84.49 174.11 10.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.511 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -134.82 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.598 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 74.1 m-85 -136.35 84.99 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.68 ' HG2' HD11 ' A' ' 40' ' ' LEU . 14.1 mtm -64.32 139.24 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.721 HD11 ' CE1' ' A' ' 101' ' ' HIS . 6.1 pt -127.51 179.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.53 39.02 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -164.45 143.24 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.707 ' HB ' HD11 ' A' ' 79' ' ' LEU . 41.2 t -77.39 65.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -31.03 143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.643 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -134.27 147.86 65.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 162' ' ' PRO . 18.2 Cg_endo -75.02 130.23 13.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 3.0 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.442 ' CG2' HD12 ' A' ' 133' ' ' LEU . 2.7 p -130.25 148.96 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.81 151.82 27.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -167.062 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.98 -66.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.732 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -36.47 -36.0 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -39.92 -30.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -90.31 -65.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 3.7 mm-40 -44.26 -45.86 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 37' ' ' ASN . 63.7 t80 -53.82 -64.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -42.1 -47.56 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -40.71 -29.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -96.73 -38.86 9.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' ALA . 12.8 m-80 -126.21 84.76 61.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -33.94 4.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 p -137.23 -165.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 -174.95 49.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.903 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -96.12 46.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.0 p -127.22 -171.65 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.984 HG13 HG13 ' A' ' 145' ' ' VAL . 24.7 t -79.16 -40.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -34.01 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.47 -48.32 85.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.767 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 13.2 ptp -62.03 -12.49 19.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -65.47 -50.16 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.23 -15.05 5.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' CG ' HG12 ' A' ' 32' ' ' VAL . 70.7 m-20 -94.99 142.58 24.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.95 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.718 HG13 ' H ' ' A' ' 31' ' ' ALA . 9.0 p 31.8 -121.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.718 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.9 -70.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.632 HG12 ' CG ' ' A' ' 28' ' ' ASP . 76.5 t -30.65 -63.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.13 -57.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -59.97 -51.48 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 32' ' ' VAL . 43.0 t -41.15 -27.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 2.0 m-80 -138.79 35.28 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 41' ' ' THR . 0.2 OUTLIER -85.83 134.73 38.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 128.82 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.903 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 6.95 3.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.829 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.19 -19.13 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.034 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -107.51 -11.39 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -40.0 -36.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.669 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 10.5 t -70.61 -46.99 62.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.877 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -54.4 -56.99 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.609 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -48.75 -59.48 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.59 ' N ' HG22 ' A' ' 44' ' ' THR . . . -38.83 -39.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.42 -69.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -51.08 -62.66 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -39.49 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 151.16 -20.31 0.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.534 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.2 mt-30 -38.8 -48.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.67 52.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -132.76 121.85 17.35 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 28.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -129.42 3.92 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 47' ' ' LEU . 11.4 t -125.17 146.56 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.5 p30 -164.05 102.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 99' ' ' THR . 12.8 mt -114.13 -34.22 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.732 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.9 p -33.59 -63.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.732 ' H ' HG13 ' A' ' 58' ' ' VAL . 7.3 m-20 -40.88 -51.44 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.3 m -63.15 -60.7 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 31' ' ' ALA . 11.5 mt -33.4 -48.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.6 OUTLIER -81.13 52.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' THR . 37.3 m -118.67 -92.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.58 170.9 23.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.7 mt-30 -54.1 108.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 6.9 m-30 -113.62 -175.26 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.967 HG23 ' HB ' ' A' ' 151' ' ' THR . 26.3 m -147.16 86.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.807 HG12 ' HB2' ' A' ' 70' ' ' ALA . 12.9 t -50.82 137.72 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.9 m-85 -131.34 59.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.807 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.08 134.03 26.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -137.639 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.877 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 103.46 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.592 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 45.9 p -56.26 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 2.2 p30 -72.26 -50.22 28.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.57 41.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.709 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -79.56 -45.55 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.74 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 32.9 m-85 -82.63 -40.64 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -56.31 -31.0 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -58.07 -48.5 79.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.726 HD11 ' HB ' ' A' ' 158' ' ' VAL . 58.2 mt -62.05 149.82 85.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.12 28.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.68 -44.43 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 p -46.1 -48.33 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.574 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.89 -49.72 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.34 -37.55 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -21.24 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 4.4 tp10 -82.16 -41.55 20.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 87' ' ' LEU . 4.7 mt -63.02 -13.28 33.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.425 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 17.3 mttt -93.69 11.19 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.9 t -145.02 15.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 9.3 m-20 -116.64 -155.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.3 t 168.56 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.8 -23.56 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -92.31 -48.26 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.045 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -63.68 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.3 m -54.03 -50.56 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.5 m -48.9 -40.46 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.854 HG22 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -62.35 -58.29 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.045 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.57 -56.32 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.862 HG22 HD11 ' A' ' 119' ' ' LEU . 1.5 p -48.87 -50.35 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.783 ' CE1' HG13 ' A' ' 124' ' ' VAL . 1.2 t80 -60.67 -17.01 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.739 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.6 m-70 -91.92 25.81 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.56 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -162.6 132.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 117' ' ' GLN . 43.1 t -114.42 128.2 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.23 113.42 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 154.78 -44.2 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.527 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.4 OUTLIER 78.63 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.3 m -157.79 130.39 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 p -60.52 167.12 3.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.442 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.01 50.06 2.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -136.56 -46.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -97.35 -24.31 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.438 HG13 HG11 ' A' ' 126' ' ' VAL . 4.0 p -52.77 -21.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 110' ' ' ALA . 14.6 p -69.95 150.55 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.43 -147.42 16.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.1 m -94.28 86.36 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.372 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.551 ' CB ' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -82.75 169.61 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.782 ' O ' HG13 ' A' ' 103' ' ' VAL . 26.3 tt0 -129.6 126.65 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.862 HG23 HG22 ' A' ' 124' ' ' VAL . 58.0 p -93.39 166.22 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.862 HD11 HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -63.61 -27.66 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.526 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.7 tp60 -66.28 -26.56 67.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.62 -51.96 0.71 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.539 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -48.21 153.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -90.12 148.46 22.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -110.14 96.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 125' ' ' THR . 4.2 m -65.81 76.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 135' ' ' VAL . 26.0 t -75.09 147.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.863 ' O ' HD23 ' A' ' 133' ' ' LEU . 46.2 m -146.5 176.77 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.567 ' H ' HG22 ' A' ' 127' ' ' THR . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 127' ' ' THR . 6.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.549 ' O ' HG23 ' A' ' 135' ' ' VAL . 3.7 mttm -130.42 165.94 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -163.84 115.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.36 40.47 30.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 86.68 -22.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -72.14 169.89 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.5 m-20 -118.51 121.29 39.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 133' ' ' LEU . 95.0 t -60.62 87.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.732 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.5 t -55.16 -56.62 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 145' ' ' VAL . 36.2 t -148.62 103.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 108.332 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.76 167.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.01 24.58 63.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.984 HG13 HG13 ' A' ' 22' ' ' VAL . 4.3 t -98.51 51.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.5 m -36.84 115.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.747 HG23 HG21 ' A' ' 152' ' ' VAL . 1.2 p -79.79 -100.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -103.27 -78.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -122.72 44.2 2.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.14 135.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.967 ' HB ' HG23 ' A' ' 67' ' ' THR . 6.8 m -63.16 175.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.747 HG21 HG23 ' A' ' 147' ' ' THR . 2.1 t -139.85 124.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.562 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 89.9 m-85 -137.13 88.32 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.65 ' HG2' HD11 ' A' ' 40' ' ' LEU . 16.2 mtm -70.61 114.47 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.735 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.2 pp -105.76 173.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 156' ' ' ASP . 34.6 p-10 -115.52 51.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 157' ' ' SER . . . . . 0.744 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.4 m -170.58 132.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.726 ' HB ' HD11 ' A' ' 79' ' ' LEU . 72.3 t -74.02 70.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.781 HD11 ' CG1' ' A' ' 135' ' ' VAL . 34.2 mt -34.58 125.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 158' ' ' VAL . 2.9 mtp -122.05 140.52 32.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 161' ' ' PRO . . . . . 0.556 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.32 11.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 162' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -136.27 153.27 51.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -80.89 -173.7 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.679 HG21 ' CB ' ' A' ' 109' ' ' PRO . 16.6 m -124.18 142.44 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.22 154.4 11.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.2 Cg_endo -75.03 -57.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.718 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -47.76 -46.64 24.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.39 -30.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -68.23 -73.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 2.3 mm-40 -54.14 -45.61 72.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 43.9 t80 -35.87 -65.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.92 -53.31 10.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.41 -39.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.09 -48.28 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -126.83 79.29 72.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.99 -31.86 5.87 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.422 ' C ' ' OG ' ' A' ' 21' ' ' SER . 71.9 p -137.02 176.3 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.17 -173.04 20.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HB2' ' CG ' ' A' ' 36' ' ' ASN . 18.4 Cg_endo -75.01 -18.64 18.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.858 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -90.05 23.34 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.488 ' O ' ' HE3' ' A' ' 25' ' ' MET . 0.7 OUTLIER -106.82 171.93 7.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HB ' HG13 ' A' ' 145' ' ' VAL . 2.8 m -68.65 -31.53 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -87.34 -39.48 15.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.19 -49.9 73.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.488 ' HE3' ' O ' ' A' ' 21' ' ' SER . 22.5 ptp -66.52 -10.19 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.452 ' HA ' ' C ' ' A' ' 147' ' ' THR . 5.3 t -75.49 -53.53 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.64 -16.93 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -111.19 160.39 29.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.96 154.27 42.56 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 3.1 p -30.7 -44.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -55.98 -97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 19.9 t -38.78 -33.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.556 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -54.05 -50.73 66.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.33 -8.66 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.742 ' OG ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.7 26.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 31.3 m-80 -136.49 -39.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 1.054 ' O ' HG23 ' A' ' 41' ' ' THR . 0.2 OUTLIER -45.08 129.58 5.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 172.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.858 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 6.1 3.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -123.64 -2.18 8.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD22 ' HB1' ' A' ' 70' ' ' ALA . 22.8 mt -114.02 -33.23 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.054 HG23 ' O ' ' A' ' 37' ' ' ASN . 23.2 p -34.58 -35.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.59 -55.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.907 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.18 -52.75 64.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.742 HG21 ' OG ' ' A' ' 35' ' ' SER . 60.3 m -47.7 -56.72 6.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.48 -38.36 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.09 -71.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.907 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.76 -61.95 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.841 ' HA ' HG23 ' A' ' 58' ' ' VAL . 11.4 p -43.41 -63.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 147.61 -24.36 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.95 -44.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -51.93 9.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.643 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -116.11 110.28 43.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 17.54 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.27 8.6 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 56' ' ' ASN . 2.2 t -132.2 160.17 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 4.7 p30 -169.73 110.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.09 8.48 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.841 HG23 ' HA ' ' A' ' 48' ' ' SER . 3.5 t -66.84 -39.63 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.91 -45.53 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . 20.3 m -64.31 -64.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD22 HG11 ' A' ' 102' ' ' VAL . 5.0 mt -38.99 -43.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -85.46 52.52 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 t -163.16 110.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 82.01 140.07 3.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.7 mt-30 -50.46 109.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 0.725 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 5.8 m-30 -112.97 -175.53 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 151' ' ' THR . 86.8 m -152.16 87.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.788 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.4 t -51.79 140.07 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.574 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.7 m-85 -131.25 67.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.788 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.7 130.1 29.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -138.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.877 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 108.68 2.77 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 155' ' ' ILE . 54.9 p -53.5 175.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.0 -11.95 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.69 -19.1 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.717 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 55.8 m-85 -63.17 -47.74 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -44.42 -54.57 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.951 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 4.6 mtmp? -40.37 -46.39 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 158' ' ' VAL . 12.0 mt -61.5 149.21 84.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.415 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.97 155.64 43.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.64 -53.3 56.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 p -39.68 -44.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.77 -51.37 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 110.417 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.14 -51.08 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -21.04 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' O ' HG22 ' A' ' 89' ' ' THR . 8.0 tp10 -81.74 -44.49 16.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.525 HD23 ' ND2' ' A' ' 90' ' ' ASN . 5.9 mt -66.19 -8.71 25.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -90.57 25.06 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.5 t -160.87 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.525 ' ND2' HD23 ' A' ' 87' ' ' LEU . 6.3 m-20 -55.79 168.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.3 p -159.48 26.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.86 -44.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -80.95 -26.96 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.938 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.74 -46.59 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.44 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.6 t -55.13 -45.68 75.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.44 ' C ' ' HG3' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -50.35 -39.72 47.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.935 HG22 HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.14 -57.41 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.938 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.93 -61.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.896 HG22 HD11 ' A' ' 119' ' ' LEU . 2.6 p -46.22 -48.54 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.1 t80 -61.43 -21.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.087 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.692 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.4 m-70 -89.42 24.39 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.94 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.3 t -153.32 149.87 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.999 HG13 ' O ' ' A' ' 117' ' ' GLN . 92.6 t -134.17 131.16 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.08 109.71 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 161.8 -49.2 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.572 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.5 OUTLIER 77.58 120.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.0 m -157.26 128.4 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -52.88 165.77 0.54 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.679 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.1 Cg_endo -75.05 52.42 3.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 -45.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 113' ' ' VAL . 5.4 m-20 -98.67 -29.97 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -40.8 -29.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.1 p -60.37 143.83 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.95 178.5 23.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.4 m -71.48 101.79 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -99.8 -170.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.999 ' O ' HG13 ' A' ' 103' ' ' VAL . 15.5 tt0 -129.85 131.4 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.473 ' HA ' HG22 ' A' ' 103' ' ' VAL . 71.7 p -97.21 145.34 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.94 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -39.69 -30.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.445 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.7 OUTLIER -55.51 -59.6 4.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.3 -24.62 1.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.16 174.36 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.3 m -100.4 142.64 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.5 p -112.88 104.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -68.59 96.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.74 HG13 ' CG2' ' A' ' 135' ' ' VAL . 17.5 t -91.54 153.39 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.701 ' HA ' HG23 ' A' ' 113' ' ' VAL . 20.9 m -146.58 175.79 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.438 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 127' ' ' THR . . . 132.52 162.28 10.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -136.16 -75.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -125.31 -82.91 0.51 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -91.96 40.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 t -164.37 136.67 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 127' ' ' THR . 6.1 mt -150.64 126.05 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 135' ' ' VAL . 6.8 mtpt -123.31 164.4 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.867 HG12 HD11 ' A' ' 159' ' ' LEU . 2.2 t -156.28 121.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 50.16 38.84 33.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.3 t-20 84.25 -14.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.682 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -74.87 -178.79 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 6.5 m-20 -124.87 109.38 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 154' ' ' MET . 46.6 t -55.5 98.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.718 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.9 t -63.06 -60.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.69 106.19 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.286 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.0 161.97 12.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.04 24.46 44.59 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.613 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.4 t -96.21 65.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 13.1 m -53.7 127.65 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.556 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 7.2 p -87.63 -105.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -109.2 -44.24 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.456 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -150.98 38.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.544 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -172.13 141.89 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.951 ' HB ' HG23 ' A' ' 67' ' ' THR . 26.2 m -83.07 170.91 14.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -136.03 131.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.6 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 88.6 m-85 -140.51 87.42 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -64.22 146.88 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -135.78 -179.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -121.33 36.97 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.411 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -159.48 134.88 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 158' ' ' VAL . 70.7 t -75.17 72.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.867 HD11 HG12 ' A' ' 135' ' ' VAL . 22.9 mt -33.24 148.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.724 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.9 mtp -139.61 144.37 39.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.44 ' HG3' ' C ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.593 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 18.4 Cg_endo -74.96 65.54 6.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 162' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.62 169.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.56 -178.31 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.37 141.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.21 160.3 11.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.534 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -49.31 -30.72 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.5 -28.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.73 -70.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 9.6 mm-40 -43.78 -47.85 8.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' ALA . 71.5 t80 -43.44 -63.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.06 -52.62 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -44.67 -35.31 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.95 -42.63 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -130.72 78.25 74.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -30.68 6.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.7 p -129.5 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.81 179.21 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -9.37 20.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.905 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.53 14.71 14.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.496 ' O ' ' HE3' ' A' ' 25' ' ' MET . 61.2 p -93.06 165.47 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG12 HG13 ' A' ' 145' ' ' VAL . 18.9 m -62.83 -31.04 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -98.26 -48.59 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -52.06 -21.81 8.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.682 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.2 ptp -91.68 -17.09 26.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -61.66 -36.56 81.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -70.84 -12.35 61.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 m-20 -97.85 144.13 27.46 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.754 HG13 ' H ' ' A' ' 31' ' ' ALA . 3.3 p 28.65 -109.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.754 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -11.45 -70.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 78.9 t -40.81 -66.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.89 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -64.91 -58.39 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.911 ' O ' HG22 ' A' ' 41' ' ' THR . 7.5 t -44.65 -26.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' ALA . 16.6 m120 -80.11 -49.34 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 1.029 ' O ' HG23 ' A' ' 41' ' ' THR . 5.0 t-20 -52.72 130.38 46.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.905 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 3.48 5.58 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.783 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.5 mm-40 -121.39 -3.84 9.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.589 HD22 ' HB1' ' A' ' 70' ' ' ALA . 17.1 mt -116.64 -32.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.029 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.2 p -32.64 -39.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.7 m -63.37 -58.41 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.941 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.12 -43.2 87.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.777 HG21 ' CB ' ' A' ' 35' ' ' SER . 90.4 m -48.45 -58.7 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -40.16 -35.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.29 -71.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.9 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.32 -62.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.256 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.992 ' HA ' HG23 ' A' ' 58' ' ' VAL . 23.6 p -43.56 -53.11 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.591 ' HA2' HG23 ' A' ' 55' ' ' VAL . . . 132.91 -21.18 4.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLY . 21.7 mt-30 -37.79 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -82.32 -53.06 6.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.654 ' HB3' HG22 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -119.1 129.42 25.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.79 -5.34 10.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.796 HG11 HD21 ' A' ' 94' ' ' LEU . 5.5 m -111.66 137.6 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 48' ' ' SER . 8.1 p30 -159.61 119.23 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' LEU . 17.5 mt -128.17 14.08 6.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.992 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.5 t -67.74 -59.14 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 -39.2 89.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 m -64.12 -69.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.701 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.6 mt -37.98 -38.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 9.8 t-20 -85.89 51.04 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.519 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -166.26 109.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 152.9 26.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -69.64 108.59 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.2 m-30 -113.8 -173.25 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.016 HG23 ' HB ' ' A' ' 151' ' ' THR . 35.9 m -151.54 87.1 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 70' ' ' ALA . 58.9 t -51.53 134.7 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.586 ' O ' HD11 ' A' ' 155' ' ' ILE . 10.0 m-85 -125.43 67.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.766 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.1 127.24 41.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -139.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.941 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.5 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 155' ' ' ILE . 35.9 p -62.57 -179.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.457 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 1.1 m-80 -66.77 -38.14 85.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.45 -9.47 58.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -80.17 -47.98 13.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 53.5 m-85 -77.97 -45.94 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -48.43 -23.51 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 5.5 mtmt -63.37 -33.14 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.544 HD11 HG21 ' A' ' 158' ' ' VAL . 22.6 mt -79.68 147.95 68.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.438 ' C ' ' N ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -75.03 140.0 24.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.45 -30.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 80' ' ' PRO . 48.0 p -56.76 -55.29 36.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.48 -45.77 84.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.431 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 86' ' ' GLU . 29.2 mm -62.19 -56.11 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.57 -26.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.506 ' O ' HG22 ' A' ' 89' ' ' THR . 5.1 tp10 -78.7 -50.31 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' O ' HD22 ' A' ' 94' ' ' LEU . 5.7 mt -54.96 -19.31 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.483 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 15.0 mttt -86.46 7.03 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.548 ' N ' HD21 ' A' ' 52' ' ' ASN . 1.8 t -141.66 10.17 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.602 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -118.82 153.73 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -144.91 23.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.35 -45.62 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -79.6 -30.38 41.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.104 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.36 -43.04 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 99' ' ' THR . 0.6 OUTLIER -54.14 -43.82 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.582 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.3 m -53.57 -39.59 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 98' ' ' LEU . 2.4 mt -65.42 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.104 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -44.67 -62.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.6 p -43.59 -51.54 6.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CD1' HG21 ' A' ' 118' ' ' THR . 1.2 t80 -56.99 -22.47 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.747 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 47.8 m-70 -90.62 24.32 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -162.58 111.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 117' ' ' GLN . 54.3 t -94.7 149.6 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.722 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -91.41 96.92 10.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.44 106.16 0.71 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 132.25 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.409 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 17.5 m -150.88 133.9 15.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.21 165.4 28.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.022 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.3 Cg_endo -74.92 50.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.83 -46.48 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.7 m-20 -96.27 -28.5 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.778 HG13 HG11 ' A' ' 126' ' ' VAL . 0.5 OUTLIER -46.3 -25.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 127' ' ' THR . 85.7 t -62.2 133.31 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.21 -174.91 15.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 123' ' ' SER . 95.2 m -73.6 104.3 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.5 tpm_? -105.52 147.07 28.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.864 ' O ' HG13 ' A' ' 103' ' ' VAL . 10.2 tt0 -94.25 127.28 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.805 ' CG2' HG22 ' A' ' 124' ' ' VAL . 9.4 p -101.27 165.99 11.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 104' ' ' ALA . 21.0 mt -48.89 -54.04 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.575 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 16.0 tp60 -49.26 -31.93 9.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.29 -41.12 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.527 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -50.52 150.72 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.559 ' HB2' HG23 ' A' ' 115' ' ' THR . 17.6 p -86.93 158.92 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.805 HG22 ' CG2' ' A' ' 118' ' ' THR . 0.0 OUTLIER -124.37 102.0 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.4 m -69.8 73.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.778 HG11 HG13 ' A' ' 112' ' ' VAL . 3.2 t -72.32 145.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.58 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -156.47 -174.96 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.714 ' HA3' HD22 ' A' ' 133' ' ' LEU . . . 132.47 -95.43 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 21.7 tt0 90.45 -37.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.2 -99.89 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 132' ' ' SER . 9.2 m120 -136.46 140.3 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.8 m 85.92 42.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.054 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.714 HD22 ' HA3' ' A' ' 128' ' ' GLY . 4.1 mt -45.11 168.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 1.6 mttt -134.88 154.38 51.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.723 HG22 HG22 ' A' ' 126' ' ' VAL . 1.8 t -149.11 122.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 42.87 45.64 5.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.7 t-20 88.05 -39.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.829 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -51.97 171.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.4 m-20 -120.7 116.95 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 133' ' ' LEU . 77.4 t -58.26 113.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 72' ' ' THR . 2.3 t -85.99 -47.17 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 27.4 t -160.48 106.74 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.43 176.14 18.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.57 20.19 79.41 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.594 HG13 HG12 ' A' ' 22' ' ' VAL . 1.5 t -87.93 52.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.4 m -43.33 128.67 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.57 HG21 ' CB ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -96.98 -99.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -104.94 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -127.86 37.87 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -168.5 138.89 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 1.016 ' HB ' HG23 ' A' ' 67' ' ' THR . 30.7 m -78.11 174.23 11.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.554 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -138.99 129.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.9 m-85 -137.69 89.59 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.563 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.44 142.06 57.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.829 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.4 OUTLIER -134.56 -178.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.47 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 1.7 p-10 -118.38 39.21 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -171.38 136.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.895 ' O ' HG23 ' A' ' 158' ' ' VAL . 1.5 m -78.59 71.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.687 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 0.5 OUTLIER -22.52 135.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.36 140.67 38.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.582 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.05 121.56 6.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.527 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.0 64.88 6.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 3' ' ' LEU . 9.7 t0 -140.3 78.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 2' ' ' ASP . 2.7 mm? -121.79 -172.43 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.616 HG11 ' CB ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -117.94 172.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 72.05 155.29 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -163.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -63.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.26 -36.87 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.7 -40.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.91 -73.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 30.6 mt-10 -40.75 -43.39 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CE1' ' ND2' ' A' ' 15' ' ' ASN . 45.0 t80 -49.08 -64.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.62 -49.88 2.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.27 -46.9 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -77.43 -53.53 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 11' ' ' TYR . 2.3 m-80 -118.12 81.76 16.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.06 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.5 p -111.78 -153.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.05 177.7 43.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HA ' ' HA3' ' A' ' 24' ' ' GLY . 18.2 Cg_endo -75.04 -8.0 19.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.852 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -82.54 -22.32 35.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 p -59.07 168.9 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.978 HG13 HG13 ' A' ' 145' ' ' VAL . 42.6 t -67.18 -29.18 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.1 -46.33 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 19' ' ' PRO . . . -47.93 -46.3 25.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.606 ' SD ' HG12 ' A' ' 145' ' ' VAL . 10.4 ptp -70.56 -11.62 61.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 147' ' ' THR . 7.0 m -76.68 -26.52 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -77.22 -16.1 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.66 165.96 12.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 150.92 38.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.8 p -30.51 -48.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.708 ' HB1' HG13 ' A' ' 58' ' ' VAL . . . -50.29 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' SER . 21.9 t -35.81 -44.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.32 -54.35 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -70.45 -22.88 62.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.77 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER -87.77 20.72 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -126.05 -41.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.822 ' O ' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -55.41 130.77 70.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 174.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 3.47 5.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.773 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -117.44 -9.82 10.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.722 HD21 ' HG3' ' A' ' 154' ' ' MET . 63.4 mt -105.7 -29.05 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.47 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -69.14 -55.03 11.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.852 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.68 -52.52 60.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.77 HG21 ' CB ' ' A' ' 35' ' ' SER . 85.5 m -46.44 -57.01 5.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -41.96 -39.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.84 -69.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.812 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.98 -63.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.666 ' HA ' HG23 ' A' ' 58' ' ' VAL . 96.5 p -42.39 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.51 -20.79 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.489 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 6.5 mt-30 -43.59 -25.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -109.08 -44.09 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.874 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.36 92.48 23.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 26.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -130.66 4.61 4.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.874 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.6 p -150.98 153.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 7.8 p30 -152.92 108.09 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 12.91 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.708 HG13 ' HB1' ' A' ' 31' ' ' ALA . 4.7 t -78.7 -27.64 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -83.44 -19.56 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.2 m -94.94 -62.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD22 HG11 ' A' ' 102' ' ' VAL . 3.1 mt -37.64 -43.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -80.41 53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.08 110.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 86.8 138.02 5.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.0 OUTLIER -50.77 105.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.589 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.3 m-30 -112.71 -174.63 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.973 HG23 ' HB ' ' A' ' 151' ' ' THR . 80.8 m -153.14 89.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.839 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.6 t -53.03 142.86 5.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.628 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 13.1 m-85 -133.61 73.68 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.839 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -108.27 125.43 31.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -136.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.861 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.94 125.7 9.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 37.9 p -67.03 -173.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 2.8 m120 -77.33 -2.18 33.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -106.46 -20.9 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -72.58 -37.01 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.861 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 39.2 m-85 -82.93 -24.68 32.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -24.08 65.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.1 mtmp? -70.69 -10.2 58.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.013 HD12 HD11 ' A' ' 84' ' ' ILE . 11.4 mt -75.31 163.35 68.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 12.15 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 80' ' ' PRO . . . 72.27 -59.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.13 -47.5 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.445 ' CG2' HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -51.52 -41.78 61.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.013 HD11 HD12 ' A' ' 79' ' ' LEU . 18.6 mm -63.18 -47.09 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.41 -16.47 9.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -90.47 -44.34 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 7.2 mt -55.75 -19.02 9.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 89' ' ' THR . 6.1 mtmt -84.2 7.81 17.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 88' ' ' LYS . 3.2 p -159.92 44.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.425 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.9 m-20 -122.63 -79.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 73.95 9.27 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -135.92 -44.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -89.46 -20.89 23.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.019 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -88.67 -44.51 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 t -47.17 -41.01 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.357 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.48 -42.61 78.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.659 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -64.41 -54.75 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.019 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.86 -59.77 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.671 HG22 HD11 ' A' ' 119' ' ' LEU . 12.8 p -50.6 -51.3 49.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.698 ' CE2' ' O ' ' A' ' 160' ' ' MET . 17.0 t80 -59.03 -18.01 30.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.672 ' NE2' ' O ' ' A' ' 158' ' ' VAL . 41.5 m-70 -90.27 24.0 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.977 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.7 t -153.25 145.81 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 117' ' ' GLN . 96.1 t -129.34 143.45 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.09 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 122.73 95.73 1.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.3 tt0 -53.4 127.25 24.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.452 ' HB ' HG13 ' A' ' 112' ' ' VAL . 23.5 m -139.59 138.36 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.0 p -74.04 163.99 64.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.98 45.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.59 19.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.525 ' O ' ' C ' ' A' ' 112' ' ' VAL . 34.0 m-20 -152.51 -51.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.35 -43.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.881 HG23 ' HA ' ' A' ' 127' ' ' THR . 2.4 p -40.91 127.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.19 170.7 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.9 m -65.94 81.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.536 ' HB2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -79.65 -175.6 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.647 ' O ' HG13 ' A' ' 103' ' ' VAL . 9.3 tt0 -137.02 118.68 14.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 102' ' ' VAL . 47.2 p -81.93 158.64 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.977 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -55.25 -25.31 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 10.9 tp60 -61.34 -38.67 87.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.64 -32.51 3.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.47 158.41 36.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.5 p -111.5 99.7 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.0 m -67.47 100.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.694 HG22 HG22 ' A' ' 135' ' ' VAL . 41.5 t -94.45 150.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.881 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -156.5 -175.95 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 145.45 -125.58 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.1 tp60 80.84 68.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.75 -112.38 0.51 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 132' ' ' SER . 6.1 m120 -141.76 57.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER 159.75 72.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.794 HD23 ' N ' ' A' ' 133' ' ' LEU . 1.1 mt -60.75 165.77 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 135' ' ' VAL . 4.7 mttt -134.41 155.48 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.092 HG12 HD21 ' A' ' 159' ' ' LEU . 1.9 t -152.98 128.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 39.27 42.15 1.67 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.587 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 8.4 t30 89.1 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.815 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -51.45 175.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.441 ' C ' HG22 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -124.19 120.26 31.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.733 HG21 ' HB2' ' A' ' 133' ' ' LEU . 73.8 t -55.98 137.01 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 154' ' ' MET . 3.4 t -115.99 -56.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.6 96.33 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.29 166.79 12.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.54 15.04 72.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.978 HG13 HG13 ' A' ' 22' ' ' VAL . 1.3 t -83.18 58.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 73.7 m -53.14 124.77 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.544 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 14.3 p -87.04 -108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.454 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.34 -47.31 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -152.4 40.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.61 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -171.31 133.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.973 ' HB ' HG23 ' A' ' 67' ' ' THR . 32.3 m -76.59 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.639 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -142.98 129.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -133.21 93.17 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.722 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -68.71 114.35 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 1.0 HD13 ' O ' ' A' ' 157' ' ' SER . 1.2 pp -109.06 166.94 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 15.4 p-10 -98.87 44.11 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 1.0 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.3 m -172.17 141.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.672 ' O ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -73.72 19.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.092 HD21 HG12 ' A' ' 135' ' ' VAL . 61.0 mt 47.97 -88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.698 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER 87.53 137.09 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 123.24 7.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 18.3 Cg_endo -74.99 73.93 4.16 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 162' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.54 ' C ' HD22 ' A' ' 3' ' ' LEU . 2.0 p30 177.75 139.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.589 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.9 mm? -109.07 -170.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.657 HG11 ' CG ' ' A' ' 109' ' ' PRO . 7.8 p -119.5 158.56 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 157.3 33.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -48.26 -42.3 24.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -32.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.26 -75.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -49.43 -51.76 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' O ' ' A' ' 20' ' ' ALA . 75.8 t80 -37.24 -65.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.75 -44.96 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -52.21 -43.39 64.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.65 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.89 79.28 32.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -62.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.7 p -121.09 110.09 15.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.71 -169.29 39.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -20.98 16.26 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.777 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -98.21 28.68 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 25' ' ' MET . 88.3 p -100.91 166.55 10.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.686 HG12 HG13 ' A' ' 145' ' ' VAL . 6.4 m -66.89 -12.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 26' ' ' SER . 37.2 tp60 -107.72 -58.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.94 -42.14 7.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.721 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.9 ptp -70.18 -25.31 63.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' GLN . 3.1 t -54.96 -55.57 29.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -51.97 -18.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.669 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -93.17 144.09 27.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 100.53 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.782 HG11 ' O ' ' A' ' 61' ' ' LEU . 4.3 p 27.58 -111.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.772 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -16.46 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.669 HG12 ' HB3' ' A' ' 28' ' ' ASP . 45.5 t -33.44 -51.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -47.21 -55.15 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -63.4 -12.35 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.711 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -84.26 16.32 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.426 ' OD1' ' OD2' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -134.42 -39.17 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.87 ' O ' HG23 ' A' ' 41' ' ' THR . 20.2 m-80 -49.42 129.97 18.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 171.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.777 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.0 4.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.616 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.51 -5.15 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.699 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 11.0 mt -117.09 -33.83 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.1 p -36.15 -36.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -67.37 -54.68 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.884 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -57.73 -47.73 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.711 HG21 ' CB ' ' A' ' 35' ' ' SER . 17.7 m -49.33 -61.14 2.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.14 -38.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.92 -71.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.776 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.78 -60.53 2.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 p -40.68 -67.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.31 -22.41 0.57 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.555 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 1.3 mm-40 -40.52 -57.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 tp -62.72 -49.99 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -128.91 113.98 18.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 11.61 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.506 1.792 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.8 mt-30 -116.2 7.97 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.827 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.4 t -128.92 153.64 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 2.6 p30 -165.68 113.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 60' ' ' THR . 10.1 mt -121.67 -38.01 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.1 p -32.73 -65.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.727 ' H ' HG13 ' A' ' 58' ' ' VAL . 6.0 t0 -39.3 -46.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.0 m -70.28 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.782 ' O ' HG11 ' A' ' 30' ' ' VAL . 4.6 mt -39.05 -30.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 6.5 t-20 -90.76 53.65 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -175.78 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 99.42 131.62 7.39 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.8 mt-30 -50.76 106.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.553 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 9.7 m-30 -113.94 -172.72 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.988 HG23 ' HB ' ' A' ' 151' ' ' THR . 46.7 m -153.42 86.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.796 HG12 ' HB2' ' A' ' 70' ' ' ALA . 58.9 t -51.52 135.56 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -125.1 67.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.796 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.29 129.94 33.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -139.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.884 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.5 Cg_endo -74.94 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 155' ' ' ILE . 67.1 p -56.15 169.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -32.41 73.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.98 -19.65 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -75.08 -47.41 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.716 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 37.5 m-85 -67.81 -50.58 56.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -41.61 -53.76 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.0 mtmp? -37.94 -51.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD11 ' HB ' ' A' ' 158' ' ' VAL . 6.7 mt -58.26 146.66 70.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.417 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.99 138.69 23.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.22 -44.85 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -43.38 -47.27 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.81 -58.8 6.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.5 mm -48.82 -61.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.508 ' HA ' ' CD ' ' A' ' 88' ' ' LYS . 0.6 OUTLIER -46.7 -39.83 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' A' ' 89' ' ' THR . 0.8 OUTLIER -62.32 -45.11 94.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.627 HD23 ' ND2' ' A' ' 90' ' ' ASN . 8.7 mt -53.45 -49.41 67.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' CD ' ' HA ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -57.94 -9.87 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 86' ' ' GLU . 11.3 t -138.56 38.21 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.627 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.9 m-20 -119.59 -68.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER 69.95 -59.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 m -90.17 42.35 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -164.1 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.827 ' CD2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.86 -40.63 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.7 t -49.85 -44.46 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -52.82 -39.01 62.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.521 HG22 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -68.1 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -43.88 -62.5 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.524 HG23 HD11 ' A' ' 57' ' ' LEU . 12.6 p -48.33 -46.11 36.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.668 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.8 t80 -65.93 -12.3 53.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 14.1 m-70 -96.97 21.54 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.615 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -155.2 132.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 118' ' ' THR . 24.6 t -109.78 158.09 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -104.61 98.8 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.95 97.25 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.2 OUTLIER -57.6 125.83 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.424 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 21.7 m -146.5 128.49 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -59.43 165.67 3.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.657 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.01 50.93 2.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.88 -45.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 113' ' ' VAL . 13.9 m120 -99.37 -27.96 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -21.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 127' ' ' THR . 95.3 t -74.22 137.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 -105.25 1.08 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.3 m -135.55 138.87 43.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -136.89 171.52 14.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -124.05 103.45 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.54 ' HA ' HG22 ' A' ' 103' ' ' VAL . 68.6 p -62.11 140.71 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.615 HD23 HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.73 -31.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.5 OUTLIER -54.47 -57.9 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.29 -24.11 1.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -80.21 158.85 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.2 m -93.14 138.1 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 116' ' ' ARG . 3.1 p -108.89 115.31 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -79.41 106.72 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 135' ' ' VAL . 28.1 t -97.85 160.7 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.618 ' HA ' HG13 ' A' ' 113' ' ' VAL . 13.7 m -154.98 174.89 14.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.508 ' H ' HG22 ' A' ' 127' ' ' THR . . . -155.92 130.47 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -150.29 53.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 132' ' ' SER . . . 101.65 -162.83 17.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.21 62.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER 173.72 65.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.625 ' HB2' HG21 ' A' ' 140' ' ' VAL . 4.6 mt -58.15 175.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 5.0 mtpt -133.2 151.26 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 126' ' ' VAL . 2.1 t -151.11 120.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.36 44.82 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.581 1.176 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t-20 87.43 -35.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.738 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -54.2 173.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -123.35 113.76 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' A' ' 133' ' ' LEU . 75.6 t -55.46 126.71 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.62 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -99.88 -50.39 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 10.1 t -153.42 104.14 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.51 168.86 12.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.8 18.2 70.87 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.686 HG13 HG12 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -88.33 58.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.7 m -50.06 118.88 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.721 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.3 p -86.13 -100.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -98.91 -76.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -127.42 35.0 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.569 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -163.56 136.53 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.988 ' HB ' HG23 ' A' ' 67' ' ' THR . 21.3 m -74.12 175.84 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.547 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -142.71 127.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.499 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -135.29 93.75 3.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.477 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.45 142.26 58.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 72' ' ' THR . 0.6 OUTLIER -135.0 166.83 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 8.5 p-10 -109.61 47.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.8 OUTLIER -170.87 140.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 158' ' ' VAL . 42.3 t -79.03 71.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.631 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -34.02 135.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.668 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.9 mtt -132.02 150.04 74.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.44 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.92 138.84 23.77 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -75.02 136.38 20.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.73 -176.61 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.579 HD11 HG11 ' A' ' 22' ' ' VAL . 2.5 mt -58.56 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 133' ' ' LEU . 7.3 p -141.42 163.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 90.64 152.02 27.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' C ' ' N ' ' A' ' 8' ' ' CYS . 18.3 Cg_endo -74.98 -66.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.52 -26.69 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -39.74 -58.07 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -58.04 -71.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.1 mp0 -36.59 -50.76 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 89.4 t80 -64.72 -53.73 42.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.54 -29.9 7.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -81.12 -41.6 22.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.89 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 38.3 m-80 -122.11 76.25 41.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 18' ' ' GLY . 14.7 p -114.03 -19.85 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.62 172.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.63 20.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.89 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -95.22 -7.74 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.591 ' O ' ' HE3' ' A' ' 25' ' ' MET . 15.7 m -59.36 -165.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG22 HG13 ' A' ' 145' ' ' VAL . 16.2 t -83.23 -40.83 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.59 -36.15 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.92 -46.38 92.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.79 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.3 ptp -63.16 -13.6 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 28' ' ' ASP . 7.4 t -63.61 -56.79 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -46.86 -22.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.649 ' CG ' HG12 ' A' ' 32' ' ' VAL . 73.6 m-20 -92.37 141.4 24.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 99.59 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.789 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.735 HG11 ' O ' ' A' ' 61' ' ' LEU . 9.6 p 31.45 -121.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.725 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.88 -70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG12 ' CG ' ' A' ' 28' ' ' ASP . 69.3 t -31.45 -62.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.79 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.05 -73.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.686 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -47.42 -42.03 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 1.059 ' N ' HG21 ' A' ' 44' ' ' THR . 1.8 t -56.75 -15.22 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.2 m-80 -111.14 -27.01 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.69 ' O ' HG23 ' A' ' 41' ' ' THR . 2.7 m120 -51.24 121.81 17.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 163.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 10.1 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.698 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.8 mt-10 -120.81 -19.22 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.07 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -105.37 -14.79 15.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -37.94 -30.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.8 m -73.83 -54.4 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.945 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -52.92 -56.08 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.059 HG21 ' N ' ' A' ' 35' ' ' SER . 73.3 p -50.36 -55.05 17.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.43 -36.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.682 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -68.71 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.879 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -47.82 -60.08 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.623 ' HA ' HG12 ' A' ' 58' ' ' VAL . 1.4 t -42.16 -66.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.91 -22.78 0.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.659 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 28.2 mt-30 -37.92 -59.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -56.37 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -133.9 126.04 18.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 6.92 3.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.93 3.78 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 13.8 t -123.11 147.55 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.6 p30 -164.72 109.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.671 ' O ' ' N ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -124.36 -43.96 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.763 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -16.79 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.763 ' N ' HG22 ' A' ' 58' ' ' VAL . 5.6 m-20 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.671 ' N ' ' O ' ' A' ' 57' ' ' LEU . 87.2 m -55.5 -44.32 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.735 ' O ' HG11 ' A' ' 30' ' ' VAL . 3.6 mt -54.22 -31.53 53.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' O ' ' CG ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -86.43 6.9 28.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 60' ' ' THR . 29.1 t -56.46 -98.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.73 -178.16 20.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -50.86 107.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.3 m-30 -112.96 -170.17 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.99 HG23 ' HB ' ' A' ' 151' ' ' THR . 32.7 m -152.88 87.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 70' ' ' ALA . 39.6 t -51.44 139.66 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.697 ' CD2' HG23 ' A' ' 103' ' ' VAL . 11.6 m-85 -133.69 66.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.75 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.85 129.07 28.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -138.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.945 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.609 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 38.2 p -61.08 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.502 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 24.5 m120 -72.1 -47.26 52.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.67 -11.11 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -82.7 -52.32 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -79.48 -32.69 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -63.39 -24.48 67.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -65.65 -45.76 81.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.661 ' HB3' HG21 ' A' ' 83' ' ' THR . 57.9 mt -68.71 149.0 98.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.05 158.95 41.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.38 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m -50.76 -41.74 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.661 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -64.73 -47.68 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.17 -49.37 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.52 -19.68 26.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 2.2 tp10 -82.75 -46.9 12.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.535 ' O ' HD22 ' A' ' 94' ' ' LEU . 7.2 mt -59.54 -18.38 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.757 ' O ' HG23 ' A' ' 89' ' ' THR . 4.5 mtmp? -89.51 16.98 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.45 30.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' OD1' ' HG3' ' A' ' 86' ' ' GLU . 92.4 m-20 -116.63 -73.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.419 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.2 t 67.37 8.97 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.046 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -134.66 -45.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -88.06 -22.96 23.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.088 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.83 -44.67 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.408 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 50.6 m -52.55 -46.1 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.6 -39.92 62.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.584 HG22 HD23 ' A' ' 98' ' ' LEU . 1.6 mt -64.59 -57.67 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.088 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -46.88 -61.08 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 1.2 p -47.97 -44.26 30.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.3 t80 -68.49 -10.99 59.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.689 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.2 m-70 -98.55 16.42 21.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.8 129.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.985 HG13 ' O ' ' A' ' 117' ' ' GLN . 45.4 t -108.81 146.72 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.92 106.07 18.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 128.1 97.53 0.92 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -48.92 145.52 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.4 m -160.31 151.34 19.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 2.8 p -86.04 165.88 31.94 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 3.7 5.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.95 -8.57 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' VAL . 12.2 m120 -123.15 -41.53 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.692 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -40.66 -33.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.829 HG23 ' HA ' ' A' ' 127' ' ' THR . 3.0 p -53.75 124.98 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.15 172.1 13.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 m -66.47 106.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.577 ' HD2' HG11 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -103.54 -175.39 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.985 ' O ' HG13 ' A' ' 103' ' ' VAL . 26.0 tt0 -136.2 115.88 12.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 103' ' ' VAL . 74.2 p -75.4 147.7 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -44.87 -28.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -56.78 -55.22 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 146.18 -26.18 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.542 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.63 173.15 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -105.2 135.02 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.541 HG13 ' HB2' ' A' ' 116' ' ' ARG . 3.5 p -107.02 97.6 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 m -65.45 100.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.761 HG13 HG22 ' A' ' 135' ' ' VAL . 2.5 t -93.29 152.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.829 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -160.61 168.38 25.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 150.16 -131.82 3.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 6.7 tt0 161.26 -49.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.3 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -176.02 109.11 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 65.29 117.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.9 t 85.03 58.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.787 HD23 ' N ' ' A' ' 133' ' ' LEU . 1.0 OUTLIER -84.32 170.6 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.512 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.4 mtpt -135.24 156.16 49.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.761 HG22 HG13 ' A' ' 126' ' ' VAL . 2.1 t -148.74 107.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.58 -48.1 0.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.512 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.8 OUTLIER -176.86 -33.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -63.37 168.08 4.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.44 118.14 35.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.552 ' CB ' ' HB2' ' A' ' 133' ' ' LEU . 74.4 t -55.04 105.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.638 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.3 t -70.91 -50.14 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 39.0 t -160.8 109.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 108.326 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.44 174.98 16.6 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.96 78.63 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.75 HG13 HG22 ' A' ' 22' ' ' VAL . 1.7 t -92.92 50.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 54.9 m -39.03 123.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.665 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.2 p -89.61 -104.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -100.22 -71.2 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -130.51 45.04 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -176.72 135.36 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.99 ' HB ' HG23 ' A' ' 67' ' ' THR . 53.8 m -68.74 171.79 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.7 t -135.74 127.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.699 ' CE2' HG21 ' A' ' 151' ' ' THR . 75.1 m-85 -137.03 85.77 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.609 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.7 mtm -65.43 141.88 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.56 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -129.76 -178.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -122.92 38.84 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -163.63 141.48 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.611 ' HB ' HD11 ' A' ' 79' ' ' LEU . 53.2 t -80.68 74.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.604 HD11 HG12 ' A' ' 135' ' ' VAL . 67.0 mt -33.48 151.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.3 mtp -141.11 144.87 36.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.47 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 134.08 17.48 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.542 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.5 Cg_endo -74.97 74.67 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' LEU . 3.7 m-20 -102.53 115.69 31.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER 46.1 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 109' ' ' PRO . 4.2 p -142.78 151.95 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.76 147.72 22.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 110.993 -160.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.571 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -39.95 1.04 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.98 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -55.65 -64.98 3.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.07 -52.19 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -39.94 -52.26 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 mt-10 -80.65 -41.59 23.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 52.8 t80 -35.0 -66.51 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.91 -53.79 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.26 -42.26 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.77 -51.97 7.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -118.28 81.83 17.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.76 5.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.0 p -127.6 -165.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.43 174.43 48.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -10.32 21.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.729 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -80.0 -34.72 38.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -56.16 170.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 145' ' ' VAL . 26.6 t -61.12 -69.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -55.48 -21.72 17.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.62 -63.69 3.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.65 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.4 ptp -58.93 -13.53 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 15.0 m -69.97 -28.33 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.89 8.27 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.83 164.06 42.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.58 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.98 144.29 30.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.793 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.721 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 10.0 p -24.9 -50.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 30' ' ' VAL . . . -49.41 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 32' ' ' VAL . 11.8 t -40.11 -39.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -47.78 -55.86 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.522 ' C ' HG21 ' A' ' 44' ' ' THR . . . -75.21 -16.08 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.735 ' N ' HG21 ' A' ' 44' ' ' THR . 0.2 OUTLIER -89.68 33.68 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -143.74 -41.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -47.16 131.07 9.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 170.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.729 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.2 mm-40 -122.73 -2.25 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 14.3 mt -113.47 -35.52 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -32.77 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 7.3 m -65.69 -55.48 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.72 -49.51 74.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.756 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -48.47 -54.58 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -43.63 -38.31 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.29 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.855 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.15 -62.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.714 ' HA ' HG23 ' A' ' 58' ' ' VAL . 9.1 t -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.41 -21.53 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.504 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 7.7 mt-30 -43.25 -25.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -108.63 -45.68 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.799 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -108.9 99.47 35.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.0 12.71 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.2 mt-30 -126.63 5.47 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -126.06 179.93 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.546 ' N ' HG23 ' A' ' 55' ' ' VAL . 5.4 p30 173.57 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.0 mm? -91.82 -22.97 19.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.714 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.5 t -34.1 -75.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.61 ' N ' HG12 ' A' ' 58' ' ' VAL . 10.1 t0 -48.1 -50.58 27.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.614 ' O ' ' CE2' ' A' ' 66' ' ' TYR . 53.3 m -60.68 -11.47 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.1 mt -101.51 -38.7 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.571 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 20.7 p-10 -83.49 46.69 1.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -169.6 109.25 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 93.55 127.68 4.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -47.51 111.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE2' ' O ' ' A' ' 60' ' ' THR . 4.1 m-30 -115.11 -174.17 2.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.034 HG23 ' HB ' ' A' ' 151' ' ' THR . 51.0 m -152.0 85.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.873 HG12 ' HB2' ' A' ' 70' ' ' ALA . 94.7 t -50.92 135.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CD2' HG23 ' A' ' 103' ' ' VAL . 6.8 m-85 -125.99 70.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.873 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.29 127.78 32.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -136.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.01 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 155' ' ' ILE . 33.5 p -56.5 165.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -27.87 69.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.5 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -76.13 -44.52 38.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 30.8 m-85 -66.11 -28.7 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -70.3 -47.43 61.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' SER . 25.5 mtpt -39.75 -36.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.994 HD12 HG21 ' A' ' 83' ' ' THR . 0.3 OUTLIER -50.78 163.34 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.584 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 8.27 2.49 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.784 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 80' ' ' PRO . . . 76.37 -54.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.2 p -49.71 -44.41 48.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.994 HG21 HD12 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -53.36 -50.79 64.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 87' ' ' LEU . 32.9 mm -52.04 -65.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 6.3 m-20 -41.28 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.471 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 0.9 OUTLIER -75.9 -44.29 41.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.801 HD23 ' ND2' ' A' ' 90' ' ' ASN . 20.9 mt -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.76 -7.86 4.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 87' ' ' LEU . 10.2 t -144.14 42.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.801 ' ND2' HD23 ' A' ' 87' ' ' LEU . 95.9 m-20 -122.79 -50.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t 40.1 31.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -151.12 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.42 -13.19 50.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -95.81 -52.8 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 99' ' ' THR . 0.8 OUTLIER -42.29 -40.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.486 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.6 OUTLIER -63.46 -38.07 89.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 94' ' ' LEU . 5.0 mt -68.17 -56.26 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -50.5 -52.3 39.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 95' ' ' THR . 26.2 p -59.41 -44.59 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.652 ' CE2' ' O ' ' A' ' 160' ' ' MET . 50.7 t80 -66.38 -14.68 62.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.641 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.2 m-70 -91.61 20.36 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.679 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.82 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 117' ' ' GLN . 97.7 t -105.86 141.77 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.9 103.69 15.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.27 101.13 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 134.38 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.258 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.426 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 15.5 m -153.32 134.54 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p -66.15 164.64 27.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.464 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.99 50.87 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 -45.16 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -98.77 -29.85 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 126' ' ' VAL . 1.4 p -48.75 -29.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.82 HG13 ' HA ' ' A' ' 127' ' ' THR . 51.1 t -64.77 128.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 122.46 -179.78 16.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.0 m -63.73 99.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.699 ' NH2' HG21 ' A' ' 67' ' ' THR . 0.0 OUTLIER -98.02 -177.0 3.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.877 ' O ' HG13 ' A' ' 103' ' ' VAL . 6.7 tt0 -135.43 116.65 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.512 ' HA ' HG22 ' A' ' 103' ' ' VAL . 69.2 p -78.58 168.22 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.679 HD23 HG13 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -65.76 -25.46 67.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 28.9 tp60 -73.84 -1.08 17.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 95.32 -52.03 1.84 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.886 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -45.07 163.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 p -101.79 151.64 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 116' ' ' ARG . 3.7 p -125.58 96.49 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 136' ' ' GLY . 32.4 m -67.05 92.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.716 HG13 HG22 ' A' ' 135' ' ' VAL . 16.5 t -80.12 164.23 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.82 ' HA ' HG13 ' A' ' 113' ' ' VAL . 20.7 m -156.1 173.12 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.375 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 127' ' ' THR . . . -176.85 142.82 6.03 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -128.36 -50.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -166.79 -121.56 0.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 -73.81 57.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.5 p 158.87 100.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.8 mp -93.3 167.46 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.69 154.94 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.716 HG22 HG13 ' A' ' 126' ' ' VAL . 2.5 t -140.16 103.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 125' ' ' THR . . . 63.71 -68.32 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.9 m120 -141.92 -41.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.734 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -60.3 177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -124.13 121.76 36.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.33 127.12 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.98 HG12 ' HA3' ' A' ' 7' ' ' GLY . 1.8 t -106.4 -34.86 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.778 ' SG ' HG21 ' A' ' 145' ' ' VAL . 14.9 t -161.63 98.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.96 156.75 15.42 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.8 18.68 53.99 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 22' ' ' VAL . 5.4 t -91.59 64.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 4.5 m -55.0 129.33 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 25' ' ' MET . 16.7 p -87.47 -107.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -109.19 -37.44 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -157.54 35.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.721 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -167.93 136.24 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 1.034 ' HB ' HG23 ' A' ' 67' ' ' THR . 52.3 m -79.06 171.49 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.496 ' N ' HG22 ' A' ' 151' ' ' THR . 1.3 t -138.92 129.06 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 81.0 m-85 -135.78 86.32 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.473 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.6 OUTLIER -57.46 146.38 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.752 ' O ' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -138.04 169.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 6.0 p-10 -110.61 47.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.604 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 4.4 m -175.82 149.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.949 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' A' ' 159' ' ' LEU . 71.6 t -81.56 68.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 135' ' ' VAL . 1.6 tp -29.68 139.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.652 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.7 mtp -132.15 147.41 65.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.486 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 129.87 12.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.886 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.95 56.73 4.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' C ' HD22 ' A' ' 3' ' ' LEU . 32.0 m-20 -128.77 86.7 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD22 ' C ' ' A' ' 2' ' ' ASP . 3.2 mm? -123.22 -176.74 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -114.31 127.41 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.43 156.07 8.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -75.01 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.625 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -56.31 -44.16 89.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.85 -31.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -65.98 -69.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -58.16 -50.16 74.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 52.9 t80 -38.72 -64.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.84 -43.09 6.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -74.31 -47.67 33.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -124.71 80.64 61.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.02 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -132.84 106.12 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . -175.01 -164.34 29.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.45 10.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.78 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 34.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.455 ' O ' ' CE ' ' A' ' 25' ' ' MET . 97.1 p -106.25 175.78 5.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.003 HG12 HG13 ' A' ' 145' ' ' VAL . 27.1 m -76.02 -15.16 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 26' ' ' SER . 48.5 tt0 -107.04 -52.48 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -48.88 -21.91 2.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.81 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.5 ptp -93.82 -19.23 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 23' ' ' GLN . 0.4 OUTLIER -58.88 -43.96 91.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.59 -18.54 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.595 ' CG ' HG12 ' A' ' 32' ' ' VAL . 89.2 m-20 -95.44 143.96 27.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.527 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.04 97.41 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.722 HG13 ' H ' ' A' ' 31' ' ' ALA . 7.6 p 32.29 -120.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.722 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -9.06 -71.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' ' N ' ' A' ' 35' ' ' SER . 73.7 t -33.64 -60.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.81 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -36.94 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -41.93 -31.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.741 ' CB ' HG21 ' A' ' 44' ' ' THR . 3.3 t -77.28 48.32 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -166.0 -39.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.852 ' O ' HG23 ' A' ' 41' ' ' THR . 0.8 OUTLIER -54.75 130.9 65.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 170.034 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.78 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.63 4.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' C ' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -119.51 -8.05 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 34' ' ' ALA . 41.5 mt -109.82 -31.79 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.852 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.7 p -34.43 -37.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.58 -56.35 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.962 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -61.3 -47.98 83.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.741 HG21 ' CB ' ' A' ' 35' ' ' SER . 6.8 m -46.23 -57.38 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.96 -42.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -61.99 -70.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.752 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.89 -63.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.458 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -38.11 -52.75 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.57 -25.38 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -41.03 -49.29 3.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -77.68 -48.18 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.847 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -115.05 90.45 23.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 8.84 2.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -111.28 4.63 19.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.847 HG12 ' HB2' ' A' ' 52' ' ' ASN . 6.4 p -154.3 158.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.9 p30 -150.97 129.99 12.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' ' C ' ' A' ' 58' ' ' VAL . 1.5 mm? -109.29 -48.51 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.771 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -21.68 -79.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.771 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.61 -55.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -57.71 -51.66 68.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -54.36 -33.37 58.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.91 52.26 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 m -115.72 -93.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.71 179.94 22.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mt-30 -58.33 106.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 12.4 m-30 -111.81 -170.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.914 HG23 ' HB ' ' A' ' 151' ' ' THR . 26.0 m -152.04 86.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.819 HG12 ' HB2' ' A' ' 70' ' ' ALA . 46.3 t -52.12 137.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 10.0 m-85 -125.29 65.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.819 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.7 125.77 50.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -139.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.962 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 115.52 4.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.469 HG21 HG21 ' A' ' 141' ' ' VAL . 20.2 p -52.92 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.429 ' ND2' ' C ' ' A' ' 39' ' ' GLU . 1.5 m-80 -84.08 0.51 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.46 -12.83 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.53 ' CB ' ' N ' ' A' ' 157' ' ' SER . . . -79.19 -42.46 26.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.812 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.4 m-85 -77.06 -44.82 29.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -49.6 -23.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.48 -29.37 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.492 HD11 HG21 ' A' ' 158' ' ' VAL . 31.5 mt -82.57 154.72 68.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.18 26.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.78 -48.41 4.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -42.91 -58.37 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.86 -47.15 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.2 mm -63.84 -47.37 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -19.12 13.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 6.5 tp10 -84.84 -52.48 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.544 HD23 ' ND2' ' A' ' 90' ' ' ASN . 5.9 mt -54.66 -19.14 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.9 mttt -81.07 4.43 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.7 p -145.93 14.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.544 ' ND2' HD23 ' A' ' 87' ' ' LEU . 2.6 m-20 -117.77 156.0 29.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 91' ' ' SER . 2.8 t -149.37 18.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.02 -43.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.024 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.79 -36.12 23.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.823 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -74.22 -49.29 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.8 t -47.71 -43.13 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.518 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -51.81 -45.88 64.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.704 HG22 HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -62.57 -54.64 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.823 HD21 HD12 ' A' ' 94' ' ' LEU . 2.3 mt -45.33 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.493 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 68.6 p -43.16 -49.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 160' ' ' MET . 12.7 t80 -58.77 -16.09 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.741 ' NE2' ' N ' ' A' ' 159' ' ' LEU . 18.7 m-70 -99.43 20.66 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.33 117.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.822 HG22 ' HA ' ' A' ' 118' ' ' THR . 2.9 t -95.92 159.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -104.59 97.41 7.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.87 87.97 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.44 128.89 8.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.443 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 30.9 m -147.27 126.61 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.6 p -61.65 168.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.06 49.52 2.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -134.13 -45.95 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 113' ' ' VAL . 32.2 m-20 -98.23 -34.98 10.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.57 -29.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.73 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.6 p -63.09 139.9 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 107.12 171.03 22.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 115' ' ' THR . 2.4 t -62.35 99.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -98.83 179.74 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 103' ' ' VAL . 42.3 tt0 -118.35 119.72 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.822 ' HA ' HG22 ' A' ' 103' ' ' VAL . 31.1 p -92.49 166.42 12.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.737 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 16.2 mt -51.75 -58.65 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.493 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -38.51 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 107.62 -17.34 36.41 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.16 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 17.3 m -81.42 139.93 34.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.7 p -115.83 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.3 m -65.33 85.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 124' ' ' VAL . 60.2 t -76.45 155.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.73 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -152.5 169.29 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.513 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . 148.97 151.18 5.4 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 177.75 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 67.55 86.98 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 132' ' ' SER . 21.8 m120 42.5 84.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.6 OUTLIER 162.46 43.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.513 HD23 ' HA3' ' A' ' 128' ' ' GLY . 4.9 mt -74.23 129.56 38.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.15 155.15 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.541 ' CG1' HD21 ' A' ' 159' ' ' LEU . 1.6 t -150.25 123.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.87 47.02 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.5 t-20 87.74 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.768 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -50.07 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -121.74 114.15 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 42.2 t -56.44 102.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.625 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.3 t -70.31 -49.04 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 11.0 t -155.13 105.54 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.43 167.17 12.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.64 17.69 67.68 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.003 HG13 HG12 ' A' ' 22' ' ' VAL . 1.6 t -85.42 51.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.3 m -43.67 128.98 5.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.651 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.9 OUTLIER -98.04 -103.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.61 -75.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -125.41 46.33 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.531 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -178.36 143.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.914 ' HB ' HG23 ' A' ' 67' ' ' THR . 19.5 m -81.59 176.09 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.55 ' H ' HG22 ' A' ' 151' ' ' THR . 1.8 t -142.96 125.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.548 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 91.2 m-85 -133.47 91.72 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 2.2 mtm -61.79 140.69 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.768 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -140.66 172.39 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.553 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 1.5 p-10 -114.43 49.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.646 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.8 OUTLIER -173.44 121.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.861 ' O ' HG23 ' A' ' 158' ' ' VAL . 0.9 OUTLIER -69.91 70.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.741 ' N ' ' NE2' ' A' ' 101' ' ' HIS . 1.8 mp -25.48 143.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.725 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.63 144.58 53.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.518 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.95 113.16 3.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.51 4.62 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.63 169.17 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.428 ' H ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? -58.32 -175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.582 HG21 ' CB ' ' A' ' 109' ' ' PRO . 33.4 m -117.34 133.29 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.16 151.71 8.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.637 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -52.13 -47.45 55.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -41.68 -51.84 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.37 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -53.31 -54.45 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 72.1 t80 -37.36 -66.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.82 -63.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.05 -42.83 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.73 -50.21 26.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -120.63 90.05 45.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.53 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.1 p -146.76 -176.73 5.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.3 -154.45 16.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -32.93 4.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -76.77 -117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ALA . 11.0 m 42.05 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG12 HG13 ' A' ' 145' ' ' VAL . 32.6 m -92.78 -29.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -90.52 -28.3 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -61.49 -15.43 46.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.634 ' CG ' HG22 ' A' ' 147' ' ' THR . 15.5 ptp -110.18 -17.67 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 147' ' ' THR . 58.6 m -73.97 -15.42 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -92.82 7.92 41.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.623 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -140.91 170.09 10.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.568 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.3 Cg_endo -74.98 143.43 29.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.696 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 14.2 p -28.12 -41.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -55.11 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' SER . 40.8 t -42.34 -37.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -45.26 -30.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.05 -29.67 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.7 ' CB ' HG21 ' A' ' 44' ' ' THR . 17.5 t -67.54 -8.39 33.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -90.26 -55.4 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.908 ' O ' HG23 ' A' ' 41' ' ' THR . 1.3 t-20 -53.72 139.88 49.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -167.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 0.86 8.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.9 mm-40 -124.89 1.74 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD22 ' HB1' ' A' ' 70' ' ' ALA . 29.7 mt -117.53 -33.4 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.908 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.4 p -34.84 -43.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -60.45 -54.06 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.943 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.88 -40.41 84.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.7 HG21 ' CB ' ' A' ' 35' ' ' SER . 18.5 m -51.12 -56.23 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.35 -33.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -70.51 -73.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.904 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -43.9 -58.9 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.657 ' HA ' HG23 ' A' ' 58' ' ' VAL . 54.0 p -47.25 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.16 -21.94 0.67 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.601 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 5.5 mt-30 -38.39 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.49 -55.06 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.77 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -125.95 129.03 24.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.95 0.71 10.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.929 HG11 HD21 ' A' ' 94' ' ' LEU . 3.6 m -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.4 p30 -138.17 98.21 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.7 mm? -87.96 -31.57 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' A' ' 48' ' ' SER . 41.6 t -36.25 -65.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -39.91 -40.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 7.8 m -78.2 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.81 HD21 HG21 ' A' ' 102' ' ' VAL . 46.8 mt -32.96 -46.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -81.94 50.86 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.9 t -114.37 -91.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -118.36 -175.51 16.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -52.18 106.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 5.0 m-30 -113.63 -175.08 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.967 HG23 ' HB ' ' A' ' 151' ' ' THR . 37.2 m -152.21 88.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.821 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.8 t -52.51 141.6 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 10.2 m-85 -130.36 66.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -98.91 130.32 27.83 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -137.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.943 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 127.64 10.86 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 155' ' ' ILE . 37.1 p -74.98 173.6 10.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 5.6 m120 -61.82 -29.95 70.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.61 -0.99 52.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -95.86 -44.57 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.78 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.6 m-85 -71.07 -30.96 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -60.37 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HB3' HG21 ' A' ' 83' ' ' THR . 29.9 mt -56.15 149.7 34.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.46 35.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.28 -51.59 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -41.41 -50.82 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.13 -48.25 82.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.405 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.37 -59.96 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.56 -24.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -78.97 -48.52 14.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.69 ' O ' HD22 ' A' ' 94' ' ' LEU . 4.6 mt -50.82 -22.63 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -91.85 27.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 6.5 t -174.83 35.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -119.0 -73.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.413 ' H ' HD23 ' A' ' 94' ' ' LEU . 7.0 t 69.77 12.3 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.0 m -136.84 -44.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -93.98 -20.12 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.929 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -86.15 -45.63 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -52.61 -45.29 66.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.559 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.45 -39.15 60.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.967 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.609 HG22 HD23 ' A' ' 98' ' ' LEU . 2.0 mt -65.16 -60.08 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.837 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -47.88 -58.27 4.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 1.036 HG22 HD11 ' A' ' 119' ' ' LEU . 2.1 p -48.89 -49.45 39.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.755 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.1 t80 -59.91 -24.7 64.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.66 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 64.5 m-70 -82.75 21.29 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.908 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.0 t -153.36 141.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 117' ' ' GLN . 31.2 t -129.15 128.78 67.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.58 98.0 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' O ' ' NH2' ' A' ' 116' ' ' ARG . . . 139.62 107.87 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.28 131.68 44.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.8 m -154.35 127.97 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.4 p -59.07 168.63 1.45 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.582 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 50.12 2.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.18 -45.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 9.6 m120 -99.71 -27.79 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.439 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -53.59 -19.89 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 127' ' ' THR . 57.6 t -60.77 148.04 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.78 -177.68 46.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.44 ' H ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -56.32 127.69 32.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -128.45 136.18 50.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.734 ' O ' HG13 ' A' ' 103' ' ' VAL . 20.9 tt0 -81.6 127.22 32.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.759 ' CG2' HG22 ' A' ' 124' ' ' VAL . 9.6 p -102.13 163.19 12.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.036 HD11 HG22 ' A' ' 99' ' ' THR . 0.8 OUTLIER -59.64 -21.15 60.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.537 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 29.9 tp60 -69.8 -36.69 75.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.76 -27.39 5.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.764 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -75.98 172.22 13.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 p -109.2 150.36 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.759 HG22 ' CG2' ' A' ' 118' ' ' THR . 0.1 OUTLIER -112.8 110.75 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.6 m -69.13 73.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 135' ' ' VAL . 16.5 t -67.72 159.75 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.58 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -160.53 171.02 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.432 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.455 ' HA2' HD22 ' A' ' 133' ' ' LEU . . . -175.14 147.46 8.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -159.31 83.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 71.41 -57.57 1.19 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -160.53 45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.45 58.87 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.641 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.4 OUTLIER -69.67 135.28 49.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 135' ' ' VAL . 20.7 mttt -134.26 159.61 40.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.966 HG12 HD21 ' A' ' 159' ' ' LEU . 2.1 t -156.96 133.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.72 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . 35.78 43.37 0.59 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.5 t-20 87.72 -47.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -46.45 172.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 17.8 m-20 -117.28 122.59 44.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.641 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 63.8 t -59.99 123.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.637 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.7 t -94.67 -53.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.2 t -149.91 103.02 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 108.337 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.559 ' O ' HG22 ' A' ' 4' ' ' VAL . . . -113.23 160.61 13.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.19 23.97 38.85 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.597 HG13 HG12 ' A' ' 22' ' ' VAL . 2.6 t -95.16 66.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 70.0 m -52.74 128.14 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.669 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 4.8 p -88.12 -108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.399 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.15 -41.15 4.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -151.95 41.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.696 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -177.5 151.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.967 ' HB ' HG23 ' A' ' 67' ' ' THR . 32.9 m -89.21 173.96 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.512 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -140.18 128.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.513 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.7 m-85 -135.69 89.46 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.546 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 6.5 mtm -62.62 143.89 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.614 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -133.68 173.63 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 1.3 p-10 -110.16 38.5 2.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.61 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -168.83 152.72 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 158' ' ' VAL . 89.0 t -73.26 13.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.966 HD21 HG12 ' A' ' 135' ' ' VAL . 8.6 mt 51.08 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.755 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 33.4 mtp 82.06 140.89 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.559 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.93 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.764 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.1 Cg_endo -75.02 70.66 5.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -53.27 135.03 39.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER 46.27 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.519 HG11 ' CB ' ' A' ' 109' ' ' PRO . 11.0 p -136.02 165.03 30.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 82.67 154.55 15.52 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.54 1.15 . . . . 0.0 111.06 -170.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -62.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.457 1.767 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -46.72 -38.96 10.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.01 -50.11 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.21 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -40.91 -54.1 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.6 t80 -40.3 -55.3 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.03 -47.52 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -58.54 -41.87 86.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.38 -45.91 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.677 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 60.1 m-80 -124.31 73.69 59.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.0 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' GLY . 13.6 p -115.8 -16.8 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -44.86 174.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -95.37 -1.75 50.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.2 p -68.43 166.35 16.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.792 HG13 ' CG1' ' A' ' 145' ' ' VAL . 17.5 t -58.36 -27.85 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' SER . 55.2 tt0 -92.06 -47.45 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.77 -22.9 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.669 ' SD ' HG22 ' A' ' 147' ' ' THR . 13.7 ptp -99.86 -24.09 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' GLN . 22.8 t -61.77 -15.97 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.19 25.84 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 24.6 m-20 -148.36 153.03 40.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.622 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 101.49 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.805 HG13 ' H ' ' A' ' 31' ' ' ALA . 3.1 p 27.5 -106.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . . . -18.08 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.622 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 54.3 t -30.52 -55.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -42.9 -62.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -46.22 -24.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.902 ' OG ' HG21 ' A' ' 44' ' ' THR . 0.4 OUTLIER -79.61 46.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -154.11 -46.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 1.001 ' O ' HG23 ' A' ' 41' ' ' THR . 29.1 t-20 -48.39 131.78 13.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 173.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.699 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 8.08 2.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 1.1 mm-40 -128.0 3.67 5.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.608 HD22 ' HB1' ' A' ' 70' ' ' ALA . 34.9 mt -118.87 -29.55 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.001 HG23 ' O ' ' A' ' 37' ' ' ASN . 53.6 p -36.23 -40.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -63.17 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.836 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.55 -48.21 82.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.902 HG21 ' OG ' ' A' ' 35' ' ' SER . 1.2 m -49.35 -58.07 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB3' HD13 ' A' ' 51' ' ' LEU . . . -41.28 -37.09 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.7 -73.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -43.57 -59.55 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 1.1 p -43.96 -66.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.497 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 148.79 -21.1 1.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -48.09 -24.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD13 ' HB3' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -100.52 -44.7 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.89 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -123.01 106.08 34.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -115.9 -2.45 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.89 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.7 OUTLIER -126.76 149.03 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.955 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.8 p30 -159.66 101.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.955 HD23 ' C ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -109.63 -27.07 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.511 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.8 p -33.54 -56.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' H ' HG13 ' A' ' 58' ' ' VAL . 7.7 m-20 -61.17 -39.15 89.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' LEU . 64.1 m -62.97 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.82 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 2.2 mm? -30.79 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' THR . 55.6 t30 -82.2 50.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -91.85 -84.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.968 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -156.62 118.85 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.54 ' O ' ' O ' ' A' ' 64' ' ' GLY . 14.2 mt-30 37.81 99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.712 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 2.6 m-85 -122.84 -178.5 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.943 HG23 ' HB ' ' A' ' 151' ' ' THR . 23.8 m -152.49 85.56 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.84 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.6 t -52.64 133.5 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 7.2 m-85 -120.9 65.2 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.84 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -93.9 128.07 42.87 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -138.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.836 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.04 119.97 5.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 155' ' ' ILE . 66.3 p -67.62 177.73 1.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 110.404 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 9.3 m120 -61.03 -55.98 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.51 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -74.99 -51.8 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.689 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 24.4 m-85 -68.38 -37.54 80.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -42.48 76.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.7 mtmt -40.67 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' LYS . 9.6 mt -39.69 150.13 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.86 59.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.84 -46.51 3.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -53.03 60.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.548 HG22 ' HE3' ' A' ' 88' ' ' LYS . 44.8 mm -56.23 -41.63 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.18 -16.89 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.677 ' O ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -88.33 -39.33 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.589 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.7 mt -60.45 -35.45 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HE3' HG22 ' A' ' 84' ' ' ILE . 14.0 mtmt -76.26 34.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.4 t -171.1 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.572 ' ND2' HD23 ' A' ' 87' ' ' LEU . 96.2 m-20 -43.59 -71.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 17.3 t 65.42 21.15 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.39 -45.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.5 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -89.48 -25.46 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -83.65 -50.8 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 99' ' ' THR . 7.3 m -47.67 -45.09 27.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 2.0 m -56.88 -37.86 71.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.473 HG23 ' HD2' ' A' ' 101' ' ' HIS . 6.7 mt -65.04 -61.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -38.95 -63.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.747 HG22 HD22 ' A' ' 119' ' ' LEU . 63.0 p -47.09 -48.56 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.672 ' CE2' ' O ' ' A' ' 160' ' ' MET . 25.2 t80 -63.62 -12.97 37.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.856 ' CE1' HD11 ' A' ' 155' ' ' ILE . 11.7 m-70 -97.4 21.48 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.552 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -155.36 135.71 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.795 HG22 ' HA ' ' A' ' 118' ' ' THR . 19.4 t -117.63 134.68 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.42 95.96 9.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.19 86.39 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.53 138.9 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.562 ' HB ' HG13 ' A' ' 112' ' ' VAL . 33.3 m -152.58 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.588 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 52.3 p -73.05 159.85 84.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 49.53 2.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.85 19.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 113' ' ' VAL . 24.4 m120 -156.74 -52.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.588 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.7 -40.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 111' ' ' ASN . 13.8 p -38.8 149.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.01 -172.41 41.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 123' ' ' SER . 1.2 m -62.45 127.67 32.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.71 ' O ' HG12 ' A' ' 124' ' ' VAL . 3.4 tpm_? -140.4 126.68 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 103' ' ' VAL . 47.9 tt0 -69.09 125.27 26.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.795 ' HA ' HG22 ' A' ' 103' ' ' VAL . 18.0 p -99.5 177.78 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.448 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.747 HD22 HG22 ' A' ' 99' ' ' THR . 0.9 OUTLIER -54.95 -61.24 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -38.13 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.32 -21.77 21.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -66.84 -175.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 115' ' ' THR . 3.2 m -120.18 138.37 53.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.2 p -112.22 118.85 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 125' ' ' THR . 3.2 m -80.38 79.11 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 135' ' ' VAL . 38.9 t -64.33 158.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.54 ' HA ' HG23 ' A' ' 113' ' ' VAL . 3.5 m -147.63 169.99 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -179.85 145.03 6.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -140.47 -70.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -130.72 -136.66 4.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 132' ' ' SER . 32.2 m120 -69.96 62.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 3.4 p 162.17 103.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.7 mp -96.41 169.52 9.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.78 159.37 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 137' ' ' ASN . 1.8 t -147.16 114.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.26 -80.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' VAL . 4.9 m120 -147.21 20.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -117.46 177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -118.7 124.55 47.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.58 128.68 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.548 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -101.53 -46.14 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.5 t -156.1 100.53 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.37 164.14 12.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.39 23.33 58.82 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.792 ' CG1' HG13 ' A' ' 22' ' ' VAL . 1.6 t -90.66 52.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 22.8 m -40.84 124.59 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.669 HG22 ' SD ' ' A' ' 25' ' ' MET . 1.8 p -90.24 -102.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.6 -64.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -134.82 27.59 3.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.784 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -154.88 149.77 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.943 ' HB ' HG23 ' A' ' 67' ' ' THR . 44.0 m -86.17 175.99 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.571 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -142.27 127.11 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.499 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 89.5 m-85 -135.28 90.48 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.482 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 3.8 mtm -62.72 138.89 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.856 HD11 ' CE1' ' A' ' 101' ' ' HIS . 9.4 pt -129.58 165.11 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 8.3 p-10 -108.98 43.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.659 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -169.59 135.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 158' ' ' VAL . 54.4 t -74.18 77.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.609 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.3 tp -37.37 151.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.672 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.1 mtt -144.93 146.85 32.79 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.416 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.01 142.78 28.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.06 171.08 19.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.29 173.0 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.28 -176.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.657 HG21 ' CB ' ' A' ' 109' ' ' PRO . 34.7 m -133.07 139.15 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.33 152.92 9.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.687 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.28 -33.24 1.94 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.19 -31.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.18 -72.06 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 40.0 mm-40 -42.93 -52.0 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.3 t80 -44.23 -66.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 14' ' ' ALA . . . -47.81 -48.44 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.9 -28.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -97.59 -37.8 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -130.37 84.73 58.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.74 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -109.62 -161.56 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.75 178.24 51.16 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.97 -10.57 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.679 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -78.56 -35.06 46.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -46.06 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 145' ' ' VAL . 25.5 t -64.32 -44.42 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -78.52 -35.04 46.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.71 -59.97 9.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.703 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 11.5 ptp -55.63 -22.72 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -60.13 -19.33 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -89.12 -18.88 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.577 ' OD1' HG12 ' A' ' 32' ' ' VAL . 67.4 m-20 -92.83 146.61 32.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.538 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.749 HG13 ' H ' ' A' ' 31' ' ' ALA . 11.1 p 31.28 -121.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.749 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.87 -72.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.577 HG12 ' OD1' ' A' ' 28' ' ' ASP . 74.1 t -30.11 -62.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.703 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.3 -64.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.655 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -49.38 -52.99 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.724 ' CB ' HG21 ' A' ' 44' ' ' THR . 40.2 t -46.48 -23.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.56 HD22 ' N ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -132.93 28.51 4.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.9 132.11 35.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 139.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.679 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 10.83 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.783 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.2 mt-10 -119.47 -19.14 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.046 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.33 -4.91 19.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.614 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 82.8 p -34.92 -43.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.563 HG21 ' CG ' ' A' ' 76' ' ' PHE . 60.1 m -65.32 -52.16 55.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.946 ' HG ' HD21 ' A' ' 47' ' ' LEU . 3.7 tp -45.98 -61.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.724 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -45.61 -65.69 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -31.02 -42.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HA ' HD22 ' A' ' 51' ' ' LEU . . . -63.62 -66.15 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.946 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -60.09 -62.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.9 p -36.71 -49.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 124.29 -25.4 6.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -38.38 -32.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -85.59 -65.49 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.521 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -112.94 121.07 39.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 3.05 5.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -111.38 7.29 20.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.777 HG21 ' CD2' ' A' ' 94' ' ' LEU . 76.8 t -125.88 138.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.1 p30 -157.78 119.57 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.616 ' O ' ' C ' ' A' ' 58' ' ' VAL . 11.7 mt -128.82 -45.63 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -20.21 -80.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.772 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.7 m-20 -35.74 -56.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' LEU . 71.9 m -54.78 -62.19 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.73 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.18 -32.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 7.3 t-20 -92.15 54.35 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 t -122.54 -91.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -96.91 169.57 25.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -53.68 105.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 6.6 m-30 -111.19 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.006 HG23 ' HB ' ' A' ' 151' ' ' THR . 42.0 m -152.75 90.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 70' ' ' ALA . 5.1 t -52.97 141.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 11.6 m-85 -133.46 63.65 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.864 ' HB1' HD22 ' A' ' 43' ' ' LEU . . . -100.26 131.9 23.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -137.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.727 ' HA ' HD12 ' A' ' 155' ' ' ILE . 18.2 Cg_endo -75.0 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.642 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 25.1 p -57.01 -160.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 3.8 p30 -77.7 -39.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.96 -11.27 36.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.65 -68.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.715 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 62.7 m-85 -58.54 -27.39 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -65.28 -36.51 84.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -57.96 -61.47 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.646 HD13 HG21 ' A' ' 83' ' ' THR . 25.0 mt -46.59 147.93 1.9 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.96 155.67 43.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.81 -45.61 63.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.88 -52.62 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.646 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -56.31 -48.18 77.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.679 HG22 ' HE2' ' A' ' 88' ' ' LYS . 36.8 mm -61.75 -48.91 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -17.35 26.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.21 -47.02 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.532 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -57.65 -18.76 22.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.679 ' HE2' HG22 ' A' ' 84' ' ' ILE . 12.8 mttm -90.06 18.51 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 t -170.29 33.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.556 ' CG ' HD23 ' A' ' 93' ' ' LEU . 95.2 m-20 -116.2 -73.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER 75.61 -56.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.6 p -90.05 46.33 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.556 HD23 ' CG ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -170.04 -48.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.053 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -65.82 -38.42 88.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 99' ' ' THR . 1.3 m -54.0 -40.69 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -55.83 -39.36 71.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.576 HG22 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -66.56 -59.38 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.053 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -44.22 -63.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 95' ' ' THR . 67.6 p -46.04 -49.53 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.459 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 160' ' ' MET . 11.2 t80 -59.65 -20.24 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.716 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 25.3 m-70 -89.92 22.29 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.93 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.8 t -152.24 150.78 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.996 HG13 ' O ' ' A' ' 117' ' ' GLN . 99.8 t -133.75 136.78 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.97 100.7 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.08 95.27 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.434 ' NE2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -51.5 140.48 17.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.43 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 7.0 m -153.81 150.75 28.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.3 p -85.48 161.84 50.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.657 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.01 46.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -153.29 20.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 112' ' ' VAL . 18.3 m120 -153.73 -52.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.37 -44.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 127' ' ' THR . 42.9 t -42.68 124.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 135.04 -179.44 17.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 65.8 m -72.74 70.59 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.0 OUTLIER -71.12 176.52 4.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.996 ' O ' HG13 ' A' ' 103' ' ' VAL . 24.2 tt0 -126.66 123.66 38.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -86.37 149.96 24.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.93 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -47.95 -28.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.495 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 16.6 tm0? -57.09 -51.0 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 141.71 -28.46 2.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -74.05 178.45 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -109.82 134.03 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.412 HG13 ' CB ' ' A' ' 116' ' ' ARG . 2.5 p -104.58 108.11 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.7 m -74.7 81.49 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.672 HG13 ' CG2' ' A' ' 135' ' ' VAL . 43.9 t -72.26 146.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.671 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -147.63 -177.14 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.28 159.8 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -149.09 -77.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.12 -153.77 20.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.63 67.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.18 91.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 133' ' ' LEU . 5.1 mp -95.11 157.14 16.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -127.47 161.4 28.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.882 HG12 HD11 ' A' ' 159' ' ' LEU . 1.4 t -150.48 94.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 79.67 -22.99 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 3.2 m-20 155.82 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.738 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -69.34 168.93 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' VAL . 11.8 m-20 -113.31 107.87 16.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 154' ' ' MET . 93.6 t -47.07 96.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.687 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -59.69 -47.12 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 42.4 t -162.18 108.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.237 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.82 173.82 16.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.63 19.86 79.74 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -90.46 50.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 43.1 m -39.1 118.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.55 HG22 ' HG3' ' A' ' 25' ' ' MET . 2.3 p -81.23 -105.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.31 -68.69 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -130.8 46.42 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.541 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -178.97 137.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 1.006 ' HB ' HG23 ' A' ' 67' ' ' THR . 94.4 m -70.26 168.19 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -133.92 128.3 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.721 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.8 m-85 -136.63 86.76 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.642 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.3 OUTLIER -63.2 138.62 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.5 pp -133.71 160.63 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -106.29 50.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.738 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -166.98 131.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.052 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 158' ' ' VAL . 78.1 t -75.07 70.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.882 HD11 HG12 ' A' ' 135' ' ' VAL . 30.4 mt -33.98 150.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.689 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.1 mtt -142.29 145.03 33.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.48 24.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.644 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 18.3 Cg_endo -75.01 67.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 162' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.03 124.78 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.771 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.95 176.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 m -119.36 121.73 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.26 152.38 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 -176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -61.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.789 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.32 -46.02 4.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -40.02 -30.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -73.63 -69.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -54.45 -53.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' GLY . 68.2 t80 -48.18 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.52 -48.48 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -50.08 -32.56 15.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -87.54 -42.62 12.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -127.41 77.06 76.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.05 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p -121.64 173.34 7.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.85 -171.93 19.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.98 18.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.878 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -97.1 39.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.25 -172.28 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.956 HG13 HG13 ' A' ' 145' ' ' VAL . 32.8 t -78.56 -48.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.37 -20.61 29.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.29 -46.74 25.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.819 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 9.4 ptp -63.64 -9.99 16.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -68.27 -43.15 78.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -62.51 -12.11 20.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.52 ' CG ' HG12 ' A' ' 32' ' ' VAL . 61.2 m-20 -100.12 143.71 27.02 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.94 100.1 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.771 HG13 ' H ' ' A' ' 31' ' ' ALA . 13.8 p 31.21 -124.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.771 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -7.79 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.617 ' O ' ' N ' ' A' ' 35' ' ' SER . 83.3 t -29.6 -61.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.819 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.14 -56.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 1.007 ' HB2' HG21 ' A' ' 44' ' ' THR . 0.1 OUTLIER -55.12 -17.61 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.493 HD22 ' N ' ' A' ' 36' ' ' ASN . 1.5 m-80 -97.47 -34.99 10.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.66 ' O ' HG23 ' A' ' 41' ' ' THR . 2.4 m-20 -60.94 131.38 91.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 174.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.878 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 8.07 2.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.744 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -120.07 -18.78 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.057 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.7 -10.26 16.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -39.17 -39.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.607 HG23 ' CE2' ' A' ' 76' ' ' PHE . 5.2 t -70.7 -45.81 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.999 HD13 ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -51.57 -68.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.007 HG21 ' HB2' ' A' ' 35' ' ' SER . 0.2 OUTLIER -46.53 -63.54 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.45 -41.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.2 -70.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.781 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -50.79 -60.87 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.547 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.12 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.9 -21.28 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.0 mt-30 -46.15 -22.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -112.42 -44.16 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.867 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.49 91.39 20.16 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' ASN . 3.3 mt-30 -129.55 3.15 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 52' ' ' ASN . 8.4 p -150.23 150.95 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -150.91 104.5 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 60' ' ' THR . 8.4 mp -104.55 -32.54 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.593 HG13 ' N ' ' A' ' 59' ' ' ASP . 12.8 p -37.88 -57.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -46.86 -43.35 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.3 m -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.0 mt -34.14 -36.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 60' ' ' THR . 0.8 OUTLIER -87.58 53.18 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -124.43 -88.85 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.48 -175.98 40.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 105' ' ' GLY . 5.3 mp0 -76.02 105.93 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 15.4 m-30 -112.87 -168.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.013 HG23 ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.67 92.85 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.984 HG12 ' HB2' ' A' ' 70' ' ' ALA . 43.7 t -51.72 138.08 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.614 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.5 m-85 -130.07 70.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.984 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -106.91 126.9 29.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -135.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.999 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.99 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.564 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 62.7 p -61.83 -159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -90.46 4.44 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.49 -1.96 20.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' HB1' ' C ' ' A' ' 157' ' ' SER . . . -98.55 -60.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.768 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 59.1 m-85 -55.78 -19.65 12.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -16.62 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.34 -48.02 62.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 158' ' ' VAL . 7.9 mt -69.47 151.77 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.51 36.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.76 -42.85 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 t -48.64 -42.01 32.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -47.03 66.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.9 mm -62.67 -55.16 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -24.77 2.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' THR . 2.0 tp10 -82.3 -47.11 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 87' ' ' LEU . 4.7 mt -53.77 -20.98 6.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -86.15 8.87 19.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' GLU . 73.1 p -144.45 13.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.481 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.1 m-20 -121.44 161.05 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.63 20.17 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.96 -45.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.053 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -82.43 -29.79 30.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.033 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -47.12 12.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.491 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.0 OUTLIER -49.8 -45.73 50.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 11.3 p -49.71 -40.8 41.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.764 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -67.42 -58.49 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.033 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.23 -56.54 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 95' ' ' THR . 1.7 p -49.11 -48.61 44.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 1.021 ' CE1' HG13 ' A' ' 124' ' ' VAL . 11.9 t80 -65.25 -11.58 42.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.682 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.0 m-70 -95.56 22.89 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -161.26 131.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.801 HG13 HH21 ' A' ' 116' ' ' ARG . 2.5 t -109.64 163.15 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -105.17 101.86 11.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 126.79 91.66 0.79 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.423 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -45.36 134.77 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.2 m -143.57 147.84 35.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.643 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 5.9 p -87.65 161.86 43.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' HG3' ' HA3' ' A' ' 144' ' ' GLY . 18.2 Cg_endo -74.99 46.9 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.67 15.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 113' ' ' VAL . 79.6 m-20 -152.73 -53.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.643 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.33 -40.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 111' ' ' ASN . 84.4 t -43.28 141.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.46 -107.44 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.76 HG23 ' HB2' ' A' ' 123' ' ' SER . 1.9 m -147.81 97.34 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 110.4 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.801 HH21 HG13 ' A' ' 103' ' ' VAL . 2.9 mmm180 -81.61 170.23 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -119.33 90.34 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.909 HG21 ' CD1' ' A' ' 100' ' ' TYR . 73.4 p -53.86 143.12 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.056 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -50.89 -20.65 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 1.056 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -63.56 -51.07 66.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.27 -14.81 3.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.467 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 156.07 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.76 ' HB2' HG23 ' A' ' 115' ' ' THR . 37.0 p -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 1.021 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -125.89 103.1 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.9 m -65.96 88.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 135' ' ' VAL . 15.8 t -85.33 149.19 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.475 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -141.67 170.32 15.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -166.25 135.37 3.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.14 -72.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -153.6 -44.26 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -149.5 46.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.81 87.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 mp -82.11 168.01 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -129.31 163.64 25.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.97 HG22 HG22 ' A' ' 126' ' ' VAL . 1.2 t -165.66 128.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.707 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . 44.17 36.1 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 11.2 t-20 89.33 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.615 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -58.96 -179.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -125.83 121.21 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 91.0 t -58.13 111.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.789 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -79.3 -42.64 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.2 t -165.43 106.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.33 164.76 12.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.412 ' HA3' ' HG3' ' A' ' 109' ' ' PRO . . . 86.65 14.92 64.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.956 HG13 HG13 ' A' ' 22' ' ' VAL . 1.8 t -87.36 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 41.2 m -37.29 112.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.558 HG23 ' CG2' ' A' ' 152' ' ' VAL . 1.4 p -79.42 -101.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -109.24 -83.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 150' ' ' ALA . 0.7 OUTLIER -110.81 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 149' ' ' ASN . . . 175.27 150.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 1.013 ' HB ' HG23 ' A' ' 67' ' ' THR . 42.5 m -81.94 172.41 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' A' ' 147' ' ' THR . 1.5 t -132.23 124.3 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.716 ' CE2' HG21 ' A' ' 151' ' ' THR . 67.6 m-85 -135.51 81.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.564 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 11.8 mtm -58.28 147.0 32.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.5 167.13 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -103.5 32.48 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.615 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -161.37 151.76 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 158' ' ' VAL . 56.1 t -75.22 14.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.871 HD21 HG12 ' A' ' 135' ' ' VAL . 13.7 mt 51.43 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.76 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 84.1 139.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.507 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.06 114.57 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.548 1.815 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.467 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.36 160.59 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.0 mm? -115.62 -174.71 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.479 HG21 ' CB ' ' A' ' 109' ' ' PRO . 6.7 m -120.62 127.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.37 154.62 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -174.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -64.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -45.18 -40.55 7.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -28.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.2 -74.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -44.97 -52.93 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 40.2 t80 -37.82 -65.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.68 -46.71 7.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.58 -40.08 37.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.85 -48.2 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -121.45 86.27 43.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -56.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 p -128.24 146.89 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -165.99 25.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -27.44 10.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.875 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -89.26 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -122.19 177.19 5.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.027 HG13 HG13 ' A' ' 145' ' ' VAL . 42.8 t -68.68 -22.73 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -99.64 -46.49 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.52 -23.15 8.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.664 ' SD ' HG12 ' A' ' 145' ' ' VAL . 14.5 ptp -90.58 -13.04 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.452 ' HA ' ' C ' ' A' ' 147' ' ' THR . 30.7 t -76.52 -50.15 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -49.32 -22.4 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -110.93 166.52 10.6 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 18.4 Cg_endo -75.0 161.39 38.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 8.9 p -38.23 -31.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -66.64 -96.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 32' ' ' VAL . 17.4 t -37.5 -42.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' MET . . . -40.44 -41.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -87.09 -34.23 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.6 t -57.07 -15.74 5.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -81.33 -40.5 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -68.9 134.03 90.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -170.053 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.875 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.03 3.67 5.42 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 2.8 mt-10 -117.68 -2.63 11.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 154' ' ' MET . 68.6 mt -114.93 -29.77 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.5 -33.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.2 m -69.4 -54.15 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.455 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.884 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.95 -56.89 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.67 ' HA ' HD11 ' A' ' 47' ' ' LEU . 24.8 m -46.17 -56.06 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -44.14 -39.79 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.72 -69.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.884 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.16 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.661 ' HA ' HG23 ' A' ' 58' ' ' VAL . 2.5 t -43.29 -70.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 155.3 -21.1 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.5 mt-30 -45.38 -23.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.96 -45.05 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.879 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.25 90.8 17.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.99 22.62 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.477 1.778 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.4 mt-30 -125.48 3.06 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.879 HG12 ' HB2' ' A' ' 52' ' ' ASN . 7.7 p -149.95 145.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 5.0 p30 -145.85 93.5 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 99' ' ' THR . 7.0 mp -84.65 -19.81 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 48' ' ' SER . 3.5 t -40.53 -61.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.85 -35.88 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 57' ' ' LEU . 28.2 m -75.21 -65.95 0.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' HG13 ' A' ' 30' ' ' VAL . 19.1 mt -35.73 -34.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.534 ' ND2' ' HB2' ' A' ' 29' ' ' PRO . 12.7 m120 -88.11 48.87 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 2.5 t -107.01 -93.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.634 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.49 -175.54 15.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -48.43 104.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -110.5 -176.27 2.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.022 HG23 ' HB ' ' A' ' 151' ' ' THR . 41.4 m -152.12 89.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.0 t -54.55 143.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.633 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 14.0 m-85 -133.25 62.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.29 128.62 34.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -137.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.873 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.95 115.12 4.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 9.1 p -65.75 -173.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.493 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -73.72 -3.81 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.01 -18.05 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' LYS . . . -82.18 -55.21 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.8 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 64.8 m-85 -68.19 -34.62 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -55.63 -31.01 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' LEU . 10.8 mtpp -59.88 -72.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.767 ' H ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -38.69 157.56 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 139.91 24.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.56 -43.37 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -58.26 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -51.71 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.461 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.2 mm -57.14 -47.12 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.13 -14.13 33.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.13 -37.53 14.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.563 ' HB3' HD13 ' A' ' 94' ' ' LEU . 3.7 mt -68.52 -8.86 45.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' CE ' HG22 ' A' ' 84' ' ' ILE . 9.2 mtmt -94.02 28.54 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 90' ' ' ASN . 1.2 t -170.54 -40.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.553 ' ND2' HD23 ' A' ' 87' ' ' LEU . 92.8 m-20 -35.8 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.417 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER 70.0 11.92 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 m -136.45 -44.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -26.06 20.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.911 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -80.2 -46.43 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.43 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 6.7 t -48.08 -47.29 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.487 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -51.3 -38.58 53.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.938 HG22 HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -68.55 -62.63 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.938 HD23 HG22 ' A' ' 97' ' ' ILE . 1.4 mt -41.45 -60.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.558 HG23 HD21 ' A' ' 57' ' ' LEU . 20.9 p -48.66 -47.69 40.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.663 ' CE2' ' O ' ' A' ' 160' ' ' MET . 8.8 t80 -64.66 -14.47 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.759 ' NE2' ' C ' ' A' ' 158' ' ' VAL . 8.2 m-70 -93.29 15.22 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.923 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.9 t -143.98 147.87 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.633 ' CG2' ' CE2' ' A' ' 69' ' ' PHE . 61.1 t -132.59 133.7 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.93 94.47 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 146.86 108.39 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.8 110.0 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 110.302 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.809 HG21 ' NH2' ' A' ' 116' ' ' ARG . 38.0 m -126.79 136.6 52.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.595 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 3.4 p -68.25 163.31 53.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.479 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.96 46.33 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -148.94 17.61 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.9 m-80 -152.64 -50.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.595 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -32.27 -36.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.841 HG13 ' HA ' ' A' ' 127' ' ' THR . 98.1 t -47.68 146.7 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.43 -112.0 2.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 51.1 m -151.41 108.01 3.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.809 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.8 -174.01 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -124.27 102.37 7.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.501 HG21 ' CD1' ' A' ' 100' ' ' TYR . 43.7 p -63.06 140.74 58.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.923 HD23 ' HB ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -40.34 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' OE1' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -55.11 -59.56 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 148.58 -22.35 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.483 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -85.56 160.26 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.483 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 2.9 p -88.1 144.64 26.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 3.3 p -113.24 118.25 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -78.18 106.07 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 135' ' ' VAL . 47.4 t -100.08 154.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.841 ' HA ' HG13 ' A' ' 113' ' ' VAL . 2.4 m -146.44 168.57 20.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.411 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -173.66 140.58 5.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -138.99 -46.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -154.44 -137.98 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.01 56.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.5 77.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.411 ' HG ' ' CA ' ' A' ' 128' ' ' GLY . 9.3 mp -72.77 173.4 9.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.3 OUTLIER -134.93 158.83 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 126' ' ' VAL . 1.4 t -156.91 116.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.572 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.39 41.81 32.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 4.0 t30 88.75 -36.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.713 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -55.73 173.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.81 120.92 37.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 50.9 t -60.28 92.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' MET . 3.5 t -62.32 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.4 t -143.24 105.57 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.15 161.43 12.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.44 21.81 46.68 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.027 HG13 HG13 ' A' ' 22' ' ' VAL . 1.9 t -93.97 55.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.3 m -44.43 134.67 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 6.6 p -93.8 -110.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -102.82 -40.77 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -156.36 42.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -174.02 136.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 1.022 ' HB ' HG23 ' A' ' 67' ' ' THR . 85.7 m -75.11 170.34 16.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.49 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -136.69 127.45 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 92.6 m-85 -137.02 86.47 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.627 ' HG2' HD21 ' A' ' 40' ' ' LEU . 46.0 mtm -67.15 115.94 7.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.713 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -105.54 178.17 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.451 ' O ' ' OG ' ' A' ' 157' ' ' SER . 10.5 p-10 -112.84 45.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.657 ' C ' ' H ' ' A' ' 159' ' ' LEU . 0.9 OUTLIER -172.15 125.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.759 ' C ' ' NE2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -68.23 16.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.657 ' H ' ' C ' ' A' ' 157' ' ' SER . 37.9 mt 34.52 -158.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.663 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 171.46 143.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.487 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 136.78 20.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.06 74.74 3.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -151.01 -177.5 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CD1' ' SG ' ' A' ' 8' ' ' CYS . 3.8 mm? -107.56 170.08 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -137.81 6.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.4 151.59 17.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -169.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.576 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.98 -45.2 5.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -46.9 -39.55 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -48.85 -57.05 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -75.17 -41.32 58.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.8 t80 -36.56 -65.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.89 -48.04 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -47.9 -39.07 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -85.88 -49.68 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -119.76 83.5 29.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -131.1 -161.54 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.51 -174.81 45.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.03 21.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -93.93 16.91 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.56 ' O ' ' HE3' ' A' ' 25' ' ' MET . 56.7 p -92.13 162.91 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.772 ' HB ' HG13 ' A' ' 145' ' ' VAL . 3.5 m -69.35 -12.06 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 26' ' ' SER . 5.3 tp60 -107.27 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -42.93 23.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE3' ' O ' ' A' ' 21' ' ' SER . 17.3 ptp -64.75 -16.97 63.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' HA ' ' C ' ' A' ' 147' ' ' THR . 8.6 t -65.27 -57.86 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.6 -21.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.549 ' OD1' HG12 ' A' ' 32' ' ' VAL . 74.4 m-20 -91.84 144.87 30.0 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.6 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.0 102.51 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.977 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 24.05 -90.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.977 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -23.63 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG12 ' OD1' ' A' ' 28' ' ' ASP . 60.8 t -37.83 -49.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -45.8 -49.51 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.522 ' CB ' HG21 ' A' ' 44' ' ' THR . 13.0 m -86.76 37.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -145.24 -43.81 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.915 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -48.71 134.11 13.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 173.372 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.803 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.98 3.32 5.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.9 mt-10 -120.95 -4.01 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.678 HD22 ' HB1' ' A' ' 70' ' ' ALA . 16.0 mt -113.5 -33.86 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.1 p -32.39 -38.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 40' ' ' LEU . 2.8 m -65.49 -57.22 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.906 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.66 -47.27 80.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.666 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -48.98 -52.52 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -45.24 -37.13 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.59 -69.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.871 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.66 -63.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.764 ' HA ' HG23 ' A' ' 58' ' ' VAL . 91.1 p -41.72 -65.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 149.33 -21.16 1.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mt-30 -36.72 -43.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -55.04 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -129.68 128.05 22.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 5.59 3.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -106.98 3.06 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.83 142.25 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.1 p30 -164.5 105.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -111.28 -23.72 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.764 HG23 ' HA ' ' A' ' 48' ' ' SER . 22.0 t -34.8 -40.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.29 -57.08 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 76.0 m -56.78 -60.68 3.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.814 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -42.04 -34.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -91.38 55.2 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 t -172.98 109.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.04 144.27 10.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.9 OUTLIER -61.88 110.32 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 110.353 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.485 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.3 m-30 -113.94 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.966 HG23 ' HB ' ' A' ' 151' ' ' THR . 45.1 m -150.86 87.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.666 ' CG1' ' HB2' ' A' ' 70' ' ' ALA . 76.9 t -51.09 134.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.601 ' CD2' HG23 ' A' ' 103' ' ' VAL . 9.1 m-85 -128.68 68.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.678 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -96.52 130.62 30.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -139.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.906 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 23.6 p -66.53 170.57 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.65 -23.17 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.63 -21.16 38.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -76.89 -46.92 22.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.719 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 50.4 m-85 -72.13 -39.64 68.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -57.72 -35.86 71.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.453 ' NZ ' ' OG ' ' A' ' 157' ' ' SER . 26.4 mtpt -52.42 -64.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.531 HD13 HG21 ' A' ' 83' ' ' THR . 15.7 mt -47.49 151.99 1.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.95 142.82 28.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.35 -46.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -56.3 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.531 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -51.74 -47.66 63.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.5 mm -62.44 -59.37 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.73 -27.43 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 89' ' ' THR . 7.9 tp10 -75.01 -46.13 37.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.453 ' N ' HD23 ' A' ' 87' ' ' LEU . 5.0 mt -56.1 -19.69 14.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 20.1 mttt -90.91 10.19 27.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 86' ' ' GLU . 3.0 t -144.37 13.33 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 7.2 m-20 -115.38 -150.47 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 95' ' ' THR . 15.7 t 179.16 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 t -71.93 -36.13 69.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -69.05 -47.74 64.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.049 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 91' ' ' SER . 2.5 m -53.89 -52.61 59.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.563 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.5 OUTLIER -43.04 -40.09 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.85 HG22 HD23 ' A' ' 98' ' ' LEU . 0.7 OUTLIER -67.45 -58.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.049 HD21 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -47.96 -61.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 1.066 HG22 HD22 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -47.31 -46.06 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 9.0 t80 -62.8 -19.63 64.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.688 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 19.5 m-70 -90.15 18.49 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.594 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -153.29 121.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.601 HG23 ' CD2' ' A' ' 69' ' ' PHE . 96.7 t -98.8 152.19 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.42 100.78 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.08 95.16 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.634 HE21 ' N ' ' A' ' 151' ' ' THR . 0.0 OUTLIER -53.63 145.02 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.712 ' HB ' HH21 ' A' ' 116' ' ' ARG . 1.3 m -166.6 144.53 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -74.62 166.01 48.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.783 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 51.39 2.78 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.52 -45.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 113' ' ' VAL . 44.6 m-20 -97.14 -33.05 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.771 HG13 HG11 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -38.16 -32.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.682 HG13 ' HA ' ' A' ' 127' ' ' THR . 62.8 t -55.59 137.19 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.48 170.73 18.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 111.49 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.712 HH21 ' HB ' ' A' ' 107' ' ' THR . 0.0 OUTLIER -105.39 171.86 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -104.48 93.62 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.544 HG21 ' CD1' ' A' ' 100' ' ' TYR . 4.9 p -58.17 161.01 4.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.066 HD22 HG22 ' A' ' 99' ' ' THR . 10.0 tt -58.84 -53.58 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.463 ' CD ' ' O ' ' A' ' 120' ' ' GLN . 25.7 tp60 -42.92 -22.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 112.43 -23.0 16.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.545 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -69.44 -171.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 15.6 m -119.48 148.39 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.534 ' HB ' ' CG2' ' A' ' 118' ' ' THR . 6.5 p -122.53 107.66 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 57.8 m -74.88 85.49 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.771 HG11 HG13 ' A' ' 112' ' ' VAL . 9.4 t -76.05 155.09 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.682 ' HA ' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -153.22 -175.52 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.0 -100.31 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 76.7 74.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.568 ' O ' HD11 ' A' ' 133' ' ' LEU . . . 125.44 -143.13 14.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -75.66 123.28 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.504 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.1 OUTLIER 77.55 109.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 4' ' ' VAL . 8.2 mp -111.56 169.98 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -137.07 155.77 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.753 ' CG1' HD11 ' A' ' 159' ' ' LEU . 1.6 t -148.25 115.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.35 43.17 19.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 21.2 t30 87.54 -26.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.779 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -64.44 169.66 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.2 OUTLIER -116.41 122.06 43.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.08 98.89 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.576 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.4 t -71.8 -56.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 t -147.29 100.3 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.0 164.14 12.07 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.49 56.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.772 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.5 t -94.06 55.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 52.1 m -45.95 125.03 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 5.6 p -90.39 -105.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -96.69 -64.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -139.1 32.64 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.704 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -159.47 131.65 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.966 ' HB ' HG23 ' A' ' 67' ' ' THR . 17.2 m -68.9 174.37 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.509 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -140.21 125.37 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.618 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 93.9 m-85 -137.04 88.86 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.55 ' O ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.96 109.76 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.779 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -101.74 175.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 21.4 p-10 -115.75 52.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.0 OUTLIER -175.0 126.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 75' ' ' ALA . 37.4 t -71.8 69.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.753 HD11 ' CG1' ' A' ' 135' ' ' VAL . 56.1 mt -30.04 144.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.653 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -133.53 146.81 62.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.563 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.02 82.61 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 65.8 117.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 46.86 -171.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.508 HG11 ' CB ' ' A' ' 109' ' ' PRO . 7.5 p -130.73 160.64 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 89.37 156.61 32.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.656 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.17 -37.9 3.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.6 OUTLIER -44.56 -28.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -81.57 -73.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 tt0 -46.68 -52.09 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' ALA . 63.3 t80 -38.5 -69.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.64 -55.01 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -42.83 -40.92 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -78.7 -48.04 15.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -122.5 79.87 46.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -75.01 -23.35 13.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -135.73 -167.99 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.02 -178.31 41.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -14.64 21.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -79.11 -21.33 46.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -55.16 165.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.143 HG22 HG13 ' A' ' 145' ' ' VAL . 11.6 t -65.25 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 26' ' ' SER . 20.1 tt0 -81.87 -49.86 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.0 -63.25 1.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.911 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 10.2 ptp -53.03 -21.86 5.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.764 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.1 p -67.08 -8.56 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -99.1 14.73 28.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 29.0 m-20 -135.46 152.64 76.84 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 98.03 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.723 HG13 ' H ' ' A' ' 31' ' ' ALA . 7.3 p 29.17 -118.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.723 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -9.43 -71.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.606 ' O ' ' N ' ' A' ' 35' ' ' SER . 60.1 t -34.75 -60.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.911 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.15 -67.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -44.1 -29.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.807 ' HB2' HG21 ' A' ' 44' ' ' THR . 1.4 p -78.15 44.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 35' ' ' SER . 30.5 m-80 -162.56 -37.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.842 ' O ' HG23 ' A' ' 41' ' ' THR . 5.6 m-20 -54.5 130.33 62.72 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 167.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.93 6.32 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.5 mm-40 -121.35 -9.4 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.77 HD22 ' HB1' ' A' ' 70' ' ' ALA . 12.1 mt -112.85 -20.31 11.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -45.33 -53.09 8.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.521 HG23 ' CD1' ' A' ' 76' ' ' PHE . 12.9 t -54.55 -37.36 65.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.893 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.68 -42.64 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.807 HG21 ' HB2' ' A' ' 35' ' ' SER . 1.4 m -50.43 -56.66 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -41.17 -36.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.06 -70.31 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.893 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.25 -61.3 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.493 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.2 OUTLIER -44.34 -69.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 152.58 -20.87 0.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 25.5 mt-30 -37.02 -33.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -79.29 -50.84 10.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -137.03 131.23 17.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 6.4 3.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.33 3.64 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.635 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.7 t -125.1 127.53 72.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.591 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.4 p30 -151.82 79.7 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.843 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -90.86 -6.19 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 2.4 t -59.69 -29.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -51.78 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' LEU . 2.7 m -62.97 -58.63 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -34.07 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.442 ' ND2' ' CB ' ' A' ' 29' ' ' PRO . 9.2 t-20 -82.28 51.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.0 m -108.72 -93.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -110.93 176.24 18.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 15.6 mt-30 -48.95 106.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 11.1 m-30 -114.17 -171.94 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.876 HG23 ' HB ' ' A' ' 151' ' ' THR . 22.9 m -150.05 86.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.719 HG12 ' HB2' ' A' ' 70' ' ' ALA . 53.7 t -51.22 134.76 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.642 ' HE1' HG21 ' A' ' 135' ' ' VAL . 8.4 m-85 -125.31 68.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.77 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -93.62 127.83 44.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -140.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.737 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.0 113.09 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 155' ' ' ILE . 40.6 p -53.39 174.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' HA ' HG21 ' A' ' 42' ' ' THR . 6.9 p30 -65.24 -37.35 86.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.37 -14.35 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -76.06 -47.8 23.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.737 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 45.6 m-85 -70.4 -50.14 41.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -43.06 -52.76 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' SER . 3.8 mtmp? -37.28 -57.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.495 HD11 ' HB ' ' A' ' 158' ' ' VAL . 17.9 mt -47.08 146.48 2.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.99 141.68 26.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.4 -43.52 2.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.0 p -49.05 -43.55 40.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.59 -47.6 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.23 -45.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -17.53 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 89' ' ' THR . 1.5 tp10 -85.36 -43.03 14.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' O ' HD22 ' A' ' 94' ' ' LEU . 6.8 mt -58.68 -17.99 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 10.5 mttt -90.88 24.82 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 86' ' ' GLU . 9.0 t -170.0 32.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 91' ' ' SER . 97.5 m-20 -115.18 -87.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 m 85.73 -4.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.49 -41.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -88.68 -24.71 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.036 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -82.17 -43.13 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -54.56 -52.65 61.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.581 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -45.92 -35.36 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.914 HG22 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -70.31 -63.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.036 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -47.83 -56.92 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.566 ' CB ' ' HB2' ' A' ' 120' ' ' GLN . 17.0 p -48.75 -49.68 37.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.88 ' CD1' HG21 ' A' ' 118' ' ' THR . 11.0 t80 -62.54 -16.29 55.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.691 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.7 m-70 -91.01 20.37 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -158.11 122.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.903 HG22 ' HA ' ' A' ' 118' ' ' THR . 8.7 t -100.82 154.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.28 102.97 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 130.52 81.18 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -32.85 137.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.5 m -150.87 153.27 35.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.412 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.9 p -97.36 167.66 11.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.508 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.0 50.47 2.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -140.3 -46.21 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -100.42 -30.69 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -45.45 -27.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.724 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.6 p -58.47 147.0 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.95 -176.85 23.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.8 m -75.59 93.62 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.542 ' CB ' HG23 ' A' ' 124' ' ' VAL . 6.0 mmp_? -81.93 175.78 10.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -122.89 96.56 5.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.925 HG23 HG22 ' A' ' 124' ' ' VAL . 1.8 p -58.45 157.67 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.978 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -66.08 -20.89 66.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.978 ' N ' HD23 ' A' ' 119' ' ' LEU . 33.5 tp60 -68.7 -15.63 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.91 1.77 56.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.728 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -98.76 176.78 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 m -106.7 151.07 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.925 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -124.1 109.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 125' ' ' THR . 2.8 m -67.99 65.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 124' ' ' VAL . 3.1 t -60.05 148.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.724 ' HA ' HG23 ' A' ' 113' ' ' VAL . 20.1 m -156.42 175.24 14.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.528 ' H ' HG22 ' A' ' 127' ' ' THR . . . 158.52 165.85 16.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -137.38 -48.54 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.78 -55.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -119.0 24.69 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.08 91.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.69 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 0.3 OUTLIER -96.99 147.44 23.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 2.7 mtpt -139.32 161.83 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.989 ' CG1' HD11 ' A' ' 159' ' ' LEU . 1.1 t -156.7 114.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.08 -51.96 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.542 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -175.96 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.823 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -64.3 165.46 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.427 ' OD2' ' CG ' ' A' ' 156' ' ' ASP . 7.0 m-20 -103.95 122.22 44.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.69 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 53.4 t -63.68 124.07 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 72' ' ' THR . 2.7 t -92.13 -54.55 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 36.9 t -152.69 109.11 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 159.52 13.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.36 20.07 46.81 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.143 HG13 HG22 ' A' ' 22' ' ' VAL . 2.0 t -89.28 58.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 46.7 m -45.0 127.81 6.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.756 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.5 p -92.43 -100.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -106.29 -62.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -135.28 38.22 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -170.27 145.88 2.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.876 ' HB ' HG23 ' A' ' 67' ' ' THR . 22.9 m -80.39 178.38 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.617 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -143.45 127.2 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.496 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.1 m-85 -134.81 90.51 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.4 mtm -61.26 142.47 56.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 72' ' ' THR . 0.3 OUTLIER -135.97 169.4 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.8 p-10 -111.24 39.46 2.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.823 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -165.47 144.94 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 158' ' ' VAL . 54.6 t -80.32 71.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.989 HD11 ' CG1' ' A' ' 135' ' ' VAL . 12.2 mt -26.38 137.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.684 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -128.89 146.29 59.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 111.03 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.581 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.93 136.11 20.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.728 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.0 59.73 5.26 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.46 1.768 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.555 ' C ' HD22 ' A' ' 3' ' ' LEU . 18.6 t0 -133.99 81.21 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.664 ' N ' HD22 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -103.01 -168.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 109' ' ' PRO . 16.6 m -131.57 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.53 15.2 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.437 1.086 . . . . 0.0 111.004 -172.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -54.72 -42.9 79.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -41.17 -57.59 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.52 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 3.1 tt0 -43.81 -58.52 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 14' ' ' ALA . 70.5 t80 -38.29 -60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -42.85 -42.26 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -59.85 -45.13 93.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.46 -45.28 84.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.862 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 55.5 m-80 -125.02 74.39 66.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 18' ' ' GLY . 16.7 p -114.27 -19.85 11.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.536 ' C ' ' HG ' ' A' ' 21' ' ' SER . . . -46.51 175.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.28 11.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.862 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -79.67 1.41 26.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.536 ' HG ' ' C ' ' A' ' 18' ' ' GLY . 1.3 m -79.23 177.58 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.575 HG12 HG13 ' A' ' 145' ' ' VAL . 1.3 m -71.57 -37.87 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.16 -35.95 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.96 -29.03 71.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.616 ' CG ' HG22 ' A' ' 147' ' ' THR . 21.6 ptp -94.89 -10.19 31.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 147' ' ' THR . 9.2 t -77.17 -10.26 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -98.49 -21.21 16.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 2.2 m-20 -104.36 165.27 13.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.06 135.62 19.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.652 ' CG1' ' HB3' ' A' ' 150' ' ' ALA . 1.5 m -19.25 -52.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.881 ' CB ' HG23 ' A' ' 58' ' ' VAL . . . -43.23 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.737 HG12 ' ND2' ' A' ' 36' ' ' ASN . 6.0 t -46.44 -40.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.693 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -47.1 -23.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.806 ' C ' HG21 ' A' ' 44' ' ' THR . . . -105.56 -24.11 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.595 ' N ' HG21 ' A' ' 44' ' ' THR . 1.1 t -74.84 1.62 12.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.737 ' ND2' HG12 ' A' ' 32' ' ' VAL . 22.9 m-80 -113.31 -39.9 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 1.002 ' O ' HG23 ' A' ' 41' ' ' THR . 4.6 m-20 -52.92 130.01 48.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.791 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 4.72 4.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm-40 -121.64 -4.52 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.708 HD22 ' HB1' ' A' ' 70' ' ' ALA . 16.6 mt -114.24 -33.19 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.002 HG23 ' O ' ' A' ' 37' ' ' ASN . 5.9 p -32.83 -39.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.4 m -66.84 -56.23 11.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.892 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -56.26 -53.38 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.806 HG21 ' C ' ' A' ' 34' ' ' ALA . 7.4 p -46.41 -64.24 0.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -34.78 -40.55 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.16 -72.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.749 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -47.96 -60.23 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.0 p -37.66 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.578 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.03 -19.46 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.11 -55.24 18.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.611 HD21 ' HE2' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -75.4 -46.64 31.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.754 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -110.56 95.44 22.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.99 15.75 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.6 mt-30 -128.75 5.36 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.901 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -122.41 178.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 8.2 p30 175.91 123.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 60' ' ' THR . 81.6 mt -136.7 -43.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.881 HG23 ' CB ' ' A' ' 31' ' ' ALA . 1.3 p -26.41 -70.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.745 ' H ' HG13 ' A' ' 58' ' ' VAL . 9.6 m-20 -36.14 -51.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.617 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.4 m -67.81 -62.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' CD2' HG21 ' A' ' 102' ' ' VAL . 85.0 mt -35.22 -36.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.68 ' OD1' ' HB2' ' A' ' 31' ' ' ALA . 1.5 m-20 -86.2 51.61 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 2.1 m -175.88 107.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.77 126.92 5.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 9.9 mt-30 -47.0 107.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 8.4 m-30 -114.97 179.47 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.748 HG23 ' HB ' ' A' ' 151' ' ' THR . 4.0 m -144.97 87.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.859 HG12 ' HB2' ' A' ' 70' ' ' ALA . 18.3 t -53.72 127.45 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.656 ' HE1' HG21 ' A' ' 135' ' ' VAL . 11.0 m-85 -116.36 66.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.859 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.12 129.28 37.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -140.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.892 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 155' ' ' ILE . 72.9 p -58.21 168.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -24.19 67.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.95 51.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.75 -47.23 40.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.682 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 34.9 m-85 -65.68 -38.74 90.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -43.62 67.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -44.25 -66.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -45.69 150.22 0.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.18 41.64 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -56.57 -56.38 22.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ALA . 8.4 m -38.09 -47.2 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -51.63 66.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.7 HG22 ' HE3' ' A' ' 88' ' ' LYS . 40.9 mm -57.72 -44.22 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.63 43.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.34 -35.97 12.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.5 mt -68.28 -15.33 63.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 84' ' ' ILE . 55.1 mttt -91.77 31.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 90' ' ' ASN . 5.0 t -171.97 -38.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.553 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.8 m-20 -38.36 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 2.2 t 88.63 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -105.62 29.7 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.054 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.522 HD23 ' CG ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -162.94 -43.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.901 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.23 -42.9 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.475 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.9 OUTLIER -48.73 -46.81 41.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.576 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.0 OUTLIER -51.55 -41.88 61.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG22 HD23 ' A' ' 98' ' ' LEU . 2.0 mt -63.07 -61.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.819 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -46.74 -53.12 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.542 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.4 p -52.79 -50.15 64.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.747 ' CE1' HG13 ' A' ' 124' ' ' VAL . 7.6 t80 -63.85 -10.57 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.802 ' CE1' HD11 ' A' ' 155' ' ' ILE . 20.5 m-70 -95.83 22.29 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -157.22 132.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 118' ' ' THR . 5.7 t -113.14 166.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.44 111.86 19.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 155.82 -53.38 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.455 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.31 101.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 111' ' ' ASN . 38.3 m -131.11 139.67 49.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.585 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.7 p -67.17 164.97 31.32 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.04 46.49 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -152.33 19.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 113' ' ' VAL . 27.6 m-20 -153.05 -50.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -29.21 -40.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.575 HG13 ' HA ' ' A' ' 127' ' ' THR . 73.2 t -38.98 154.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.94 -122.44 7.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 m -136.17 115.58 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.54 ' HD3' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -109.45 166.59 10.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -112.5 99.65 8.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.854 HG23 HG22 ' A' ' 124' ' ' VAL . 4.1 p -58.73 146.43 36.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.051 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -49.51 -26.23 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 1.051 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -60.87 -50.46 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.12 -19.29 2.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.595 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -83.18 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 67.6 m -97.1 157.21 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.854 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -126.59 106.82 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.6 m -74.98 88.94 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.006 HG22 HG22 ' A' ' 135' ' ' VAL . 31.9 t -83.95 148.05 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.575 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -153.83 -174.72 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 126.23 -111.73 1.49 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 72.01 80.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 131' ' ' ASN . . . 114.12 65.53 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 130' ' ' GLY . 1.6 m-80 61.2 143.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.419 ' C ' HD12 ' A' ' 133' ' ' LEU . 1.9 t 63.59 97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 132' ' ' SER . 8.6 mp -108.75 161.75 14.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -132.45 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.006 HG22 HG22 ' A' ' 126' ' ' VAL . 1.2 t -151.33 112.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.92 -54.76 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 135' ' ' VAL . 2.7 t30 -168.01 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.857 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -61.63 170.24 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -116.53 123.51 47.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 98.1 t -54.55 134.37 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.461 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -107.9 -47.22 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.9 t -154.96 99.46 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 108.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.09 173.52 16.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.14 16.1 80.94 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.575 HG13 HG12 ' A' ' 22' ' ' VAL . 1.8 t -83.21 52.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 69.1 m -39.59 132.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.693 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 2.6 p -103.18 -109.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.68 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.428 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -121.59 37.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.652 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -170.94 164.47 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.748 ' HB ' HG23 ' A' ' 67' ' ' THR . 19.8 m -100.8 -178.01 3.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.669 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -145.57 128.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.529 ' OH ' ' O ' ' A' ' 107' ' ' THR . 73.7 m-85 -137.88 90.13 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.496 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -62.36 138.78 58.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.802 HD11 ' CE1' ' A' ' 101' ' ' HIS . 8.5 pt -130.42 165.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' A' ' 157' ' ' SER . 19.7 p-10 -110.24 45.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.857 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -172.54 133.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 159' ' ' LEU . 71.1 t -75.33 80.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.606 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -38.37 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 7.3 mtp -148.27 146.7 23.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.576 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 127.24 10.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.443 1.759 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.595 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -75.02 107.35 2.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.81 175.97 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.696 ' CD1' HG21 ' A' ' 22' ' ' VAL . 3.4 mt -56.63 -172.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 143' ' ' GLY . 7.8 p -124.13 173.95 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.552 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.38 151.07 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -75.04 -66.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.774 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.52 -45.16 2.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -39.51 -40.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -56.9 -50.18 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' GLU . 65.3 t80 -35.74 -65.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.3 -58.0 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -39.5 -43.69 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -51.25 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -122.35 81.53 45.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.94 -24.74 12.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -133.53 -159.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 21' ' ' SER . . . 81.31 175.22 49.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.819 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -81.55 -44.26 17.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -49.92 178.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.773 HG22 HG13 ' A' ' 145' ' ' VAL . 65.1 t -62.89 -90.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.22 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -62.04 -63.24 4.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 16.9 ptp -59.99 -11.98 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 1.4 t -66.08 -49.91 65.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.27 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.88 155.29 41.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.06 148.93 35.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 3.5 p -26.96 -50.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.98 ' HB1' HG23 ' A' ' 58' ' ' VAL . . . -48.34 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 t -45.13 -44.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 147' ' ' THR . . . -45.99 -38.55 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -91.0 -26.74 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -4.09 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -100.32 -46.49 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.754 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -46.53 132.31 8.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -174.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.819 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.97 2.07 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.442 1.759 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.2 mm-40 -122.08 -2.77 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HG ' ' HB3' ' A' ' 37' ' ' ASN . 16.5 mt -114.2 -32.8 5.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -35.04 -42.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.518 HG23 ' CD1' ' A' ' 76' ' ' PHE . 6.1 t -60.92 -53.45 57.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.434 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.852 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.19 -41.1 92.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.499 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 16.9 m -49.8 -62.24 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.13 -38.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.42 -69.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.749 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -54.85 -59.37 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.526 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 5.9 p -38.64 -61.46 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' GLN . . . 139.03 -23.22 2.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLY . 1.7 mt-30 -38.61 -45.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD21 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -61.17 -61.07 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.469 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -123.27 130.59 24.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 4.91 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.784 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -108.66 1.06 20.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.91 146.56 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -168.41 92.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 60' ' ' THR . 9.3 mp -100.72 -37.27 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.98 HG23 ' HB1' ' A' ' 31' ' ' ALA . 6.2 p -31.95 -58.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.564 ' H ' HG13 ' A' ' 58' ' ' VAL . 3.9 m-20 -48.75 -52.7 22.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 61' ' ' LEU . 1.3 m -61.84 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.659 HD22 HG11 ' A' ' 102' ' ' VAL . 15.4 mt -30.0 -44.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' THR . 8.0 t-20 -81.8 53.36 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' THR . 67.7 m -166.66 109.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.608 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 85.42 131.46 2.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -44.14 108.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.802 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.6 m-30 -114.84 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.986 HG23 ' HB ' ' A' ' 151' ' ' THR . 80.1 m -153.87 89.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.865 HG12 ' HB2' ' A' ' 70' ' ' ALA . 5.3 t -53.65 144.32 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.431 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 6.8 m-85 -132.26 63.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.865 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -97.59 131.18 27.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -135.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.852 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.98 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.57 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.6 p -60.43 177.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 39' ' ' GLU . 10.4 m120 -61.66 -42.01 98.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.07 -18.34 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 72' ' ' THR . . . -75.98 -46.98 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 42.5 m-85 -75.13 -45.82 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -43.99 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 75' ' ' ALA . 3.6 mtmp? -44.87 -61.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 HG11 ' A' ' 158' ' ' VAL . 21.9 mt -45.87 145.9 2.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.9 34.59 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.78 -50.19 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.94 -51.45 5.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.963 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.51 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.91 -47.8 81.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.404 HG22 ' CE ' ' A' ' 88' ' ' LYS . 34.9 mm -62.02 -51.85 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -21.18 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 7.7 tp10 -80.88 -41.76 22.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.692 ' O ' HD21 ' A' ' 51' ' ' LEU . 6.6 mt -61.39 -24.86 66.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 24.8 mttt -84.02 9.45 12.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 p -139.71 10.09 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.498 ' ND2' HD23 ' A' ' 93' ' ' LEU . 19.0 m-20 -109.96 -154.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 95' ' ' THR . 12.8 p 173.64 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -37.58 7.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.042 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.498 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -74.48 -38.62 62.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.067 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -76.73 -42.67 40.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.464 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.5 m -54.04 -53.09 57.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.464 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -44.62 -40.61 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.982 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.95 HG22 HD23 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -64.26 -64.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.067 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.79 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.894 ' HA ' HD21 ' A' ' 119' ' ' LEU . 6.8 p -48.85 -52.4 24.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.734 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -56.73 -17.7 9.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.693 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.4 m-70 -93.66 26.27 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.659 HG11 HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -148.14 159.69 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 118' ' ' THR . 3.0 t -143.34 134.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.47 105.29 17.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.47 91.27 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER -44.85 126.62 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.467 ' O ' ' OH ' ' A' ' 153' ' ' TYR . 55.9 m -136.86 143.51 43.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.4 p -81.44 161.7 61.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 51.58 2.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.518 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -140.71 -45.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 113' ' ' VAL . 24.8 m-20 -96.33 -30.52 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.94 -24.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.0 p -67.0 145.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.09 -110.45 2.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.6 m -136.65 104.6 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 116' ' ' ARG . 3.2 mmp_? -100.34 165.54 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -109.13 114.36 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.644 ' HA ' HG22 ' A' ' 103' ' ' VAL . 23.1 p -75.31 151.86 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.894 HD21 ' HA ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -62.62 -11.29 16.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.824 ' N ' HD23 ' A' ' 119' ' ' LEU . 8.8 tp60 -73.91 -34.26 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.11 -17.01 8.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 118' ' ' THR . . . -90.44 173.06 8.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 m -104.33 142.75 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.531 ' CG2' HG13 ' A' ' 135' ' ' VAL . 2.2 p -116.44 109.77 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.1 m -73.08 99.15 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 135' ' ' VAL . 17.1 t -91.44 158.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.65 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -153.8 177.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 142.47 -121.81 1.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 57.85 70.61 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.39 73.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.1 m120 42.3 44.76 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 t -171.94 145.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.441 HD12 ' CG2' ' A' ' 4' ' ' VAL . 5.8 mt -148.05 123.34 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -125.12 156.45 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.557 HG22 HG13 ' A' ' 126' ' ' VAL . 8.8 t -138.25 102.19 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 70.06 -49.99 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -167.6 -37.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.813 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -61.86 174.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -118.33 112.52 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 135' ' ' VAL . 21.7 t -52.2 98.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.774 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.69 -57.83 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 13.1 t -144.31 107.38 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 108.256 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.753 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -114.93 160.98 12.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.03 16.62 55.71 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.773 HG13 HG22 ' A' ' 22' ' ' VAL . 1.8 t -87.62 64.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.1 m -57.28 123.78 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 150' ' ' ALA . 10.8 p -81.8 -107.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -105.5 -40.78 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -156.28 37.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.715 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -168.63 134.22 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.986 ' HB ' HG23 ' A' ' 67' ' ' THR . 53.4 m -78.58 170.05 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.1 t -140.12 129.28 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.674 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 86.4 m-85 -133.13 85.82 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -59.54 141.47 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.2 pp -136.68 169.97 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.471 ' O ' ' OG ' ' A' ' 157' ' ' SER . 8.6 p-10 -113.26 52.56 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.813 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -173.13 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 158' ' ' VAL . 55.3 t -74.52 69.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.626 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.1 tp -33.41 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.734 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.5 mtt -136.71 146.01 53.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.464 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 123.51 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.49 5.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.3 164.13 15.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.6 mm? -113.14 -179.62 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 143' ' ' GLY . 32.2 m -118.3 136.13 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.45 152.59 9.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -45.58 -42.62 10.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -43.84 -28.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -69.7 -65.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -62.14 -50.99 69.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 72.4 t80 -37.88 -66.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.57 -48.96 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -52.01 -43.73 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -72.36 -49.88 30.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -118.09 82.22 17.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.09 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 -162.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.451 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.08 -177.64 54.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -11.7 21.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.47 28.66 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' MET . 86.0 p -111.99 178.62 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.988 HG22 HG13 ' A' ' 145' ' ' VAL . 37.1 t -74.31 -43.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 18.7 pt20 -84.79 -49.69 8.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 23' ' ' GLN . . . -46.88 -38.61 10.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.79 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.5 ptp -79.58 -20.11 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.2 OUTLIER -60.39 -32.79 71.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.01 -0.49 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.2 m-20 -111.22 144.68 30.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.02 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.772 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.694 ' O ' ' C ' ' A' ' 31' ' ' ALA . 7.1 p 31.52 -120.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -8.54 -71.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.9 t -34.04 -61.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.79 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -39.36 -67.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 40' ' ' LEU . . . -50.1 -29.62 9.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.69 ' CB ' HG21 ' A' ' 44' ' ' THR . 1.5 p -77.61 44.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 34' ' ' ALA . 23.0 m-80 -163.92 -38.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.947 ' O ' HG23 ' A' ' 41' ' ' THR . 3.7 m-20 -51.42 131.34 34.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 170.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.835 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.94 3.93 5.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.443 1.759 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -119.97 -7.5 9.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 34' ' ' ALA . 36.3 mt -110.76 -31.07 7.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.947 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.4 p -35.17 -37.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.5 m -64.59 -55.63 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.819 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.97 -42.44 98.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.69 HG21 ' CB ' ' A' ' 35' ' ' SER . 51.9 m -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -35.7 -35.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.51 -69.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -52.59 -59.8 4.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.489 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 3.0 p -37.93 -60.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 135.82 -19.63 3.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.04 -50.98 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.492 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -59.97 -64.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 89' ' ' THR . 0.5 OUTLIER -112.07 126.31 28.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 3.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -112.8 5.73 17.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.665 HG21 ' CD2' ' A' ' 94' ' ' LEU . 38.7 t -117.89 147.42 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -170.7 94.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 60' ' ' THR . 3.5 mm? -94.76 -48.77 5.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -24.7 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.77 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.3 t70 -32.86 -50.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.595 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.8 m -63.8 -72.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.452 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.954 HD22 HG21 ' A' ' 102' ' ' VAL . 16.3 mt -38.11 -36.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -80.43 49.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -136.07 -82.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.574 ' O ' ' CD2' ' A' ' 66' ' ' TYR . . . -96.62 173.61 29.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.2 mp0 -64.44 133.44 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.279 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.803 ' HB3' HG23 ' A' ' 102' ' ' VAL . 59.6 m-85 -139.18 177.63 7.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.833 HG23 ' HB ' ' A' ' 151' ' ' THR . 19.5 m -142.95 87.37 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.924 HG12 ' HB2' ' A' ' 70' ' ' ALA . 43.4 t -52.4 129.41 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.642 ' CE1' HG21 ' A' ' 135' ' ' VAL . 13.8 m-85 -120.1 71.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.924 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.13 125.22 42.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -136.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.819 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 155' ' ' ILE . 20.7 p -52.89 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -9.0 59.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.62 -14.68 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.612 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -74.22 -32.15 62.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.81 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.4 m-85 -85.62 -37.57 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 t -59.51 -26.83 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -53.71 -45.98 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.42 157.02 89.13 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.56 26.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.57 -35.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -52.49 57.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -45.8 90.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.747 HG22 ' CE ' ' A' ' 88' ' ' LYS . 36.1 mm -63.28 -46.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -12.67 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -90.88 -41.82 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' O ' HD21 ' A' ' 51' ' ' LEU . 6.2 mt -58.93 -19.69 44.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.747 ' CE ' HG22 ' A' ' 84' ' ' ILE . 12.4 mttt -89.97 25.79 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.565 ' N ' HD21 ' A' ' 52' ' ' ASN . 9.1 t -174.16 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.409 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.6 m-20 -119.92 -75.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.416 ' CB ' ' OD1' ' A' ' 52' ' ' ASN . 0.0 OUTLIER 73.64 6.02 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.73 -57.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.944 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -76.75 -17.55 59.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.957 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -87.03 -51.33 6.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 55' ' ' VAL . 3.0 m -49.75 -45.97 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.475 ' HB2' ' CG ' ' A' ' 161' ' ' PRO . 85.6 p -49.53 -44.64 46.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.959 HG22 HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -63.86 -60.84 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.959 HD23 HG22 ' A' ' 97' ' ' ILE . 1.4 mt -42.21 -62.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.485 HG22 HD11 ' A' ' 119' ' ' LEU . 4.7 p -49.26 -45.25 44.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.658 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.2 t80 -66.98 -7.4 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.681 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 24.3 m-70 -103.1 22.44 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.954 HG21 HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -158.08 115.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.578 HG11 ' HG2' ' A' ' 116' ' ' ARG . 89.4 t -99.58 124.73 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' TYR . . . -80.66 114.68 19.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 156.51 -49.0 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER 81.4 119.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.72 HG21 ' NH2' ' A' ' 116' ' ' ARG . 20.2 m -148.96 143.11 25.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 112' ' ' VAL . 60.2 p -74.13 163.04 71.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.2 Cg_endo -74.98 48.1 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.61 19.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.565 ' O ' ' C ' ' A' ' 112' ' ' VAL . 23.6 m-20 -154.46 -51.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.565 ' C ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -27.22 -45.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 127' ' ' THR . 6.8 p -40.07 145.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.07 -112.97 2.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.4 m -152.99 102.65 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.72 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -95.07 -168.55 1.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -141.67 104.73 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.53 HG21 ' CD1' ' A' ' 100' ' ' TYR . 43.0 p -59.76 167.71 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.68 HD23 HG13 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -67.1 -25.52 66.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.2 tp60 -60.65 -19.82 59.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.15 -6.91 54.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.869 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -92.32 156.51 17.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.0 m -86.98 140.46 29.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.06 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.423 HG11 HG21 ' A' ' 103' ' ' VAL . 2.4 p -113.77 105.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.8 m -70.23 114.81 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.787 HG13 HG23 ' A' ' 135' ' ' VAL . 3.5 t -109.37 146.43 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.656 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -154.12 168.67 25.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 157.95 -152.12 23.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 1.2 pt20 161.39 -36.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.462 ' O ' ' CD1' ' A' ' 133' ' ' LEU . . . -146.7 -146.16 4.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' SER . 36.0 m120 -71.03 70.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER 164.06 79.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 130' ' ' GLY . 10.2 mp -95.3 159.49 14.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 138' ' ' ALA . 13.3 mttt -135.61 157.15 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.033 ' O ' HD11 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -151.09 100.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 80.84 -27.61 2.97 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER 156.64 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.851 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -71.99 169.35 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.4 115.5 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 154' ' ' MET . 39.9 t -53.49 111.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.573 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -78.87 -45.72 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 12.0 t -157.29 104.1 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -110.76 166.0 12.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.1 16.44 67.26 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.988 HG13 HG22 ' A' ' 22' ' ' VAL . 1.6 t -84.17 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 17.6 m -40.96 124.08 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.538 ' CG2' ' CB ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -91.56 -96.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.137 . . . . 0.0 110.407 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -111.75 -78.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -116.73 24.54 11.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -156.15 155.91 33.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.833 ' HB ' HG23 ' A' ' 67' ' ' THR . 25.5 m -93.64 178.74 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.63 ' H ' HG22 ' A' ' 151' ' ' THR . 1.3 t -143.74 126.95 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.559 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 87.6 m-85 -135.27 86.27 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.557 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -55.71 147.67 18.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' THR . 0.5 OUTLIER -141.49 -171.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.71 29.99 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.851 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 19.4 m -160.86 139.27 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 158' ' ' VAL . 0.8 OUTLIER -76.12 23.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.033 HD11 ' O ' ' A' ' 135' ' ' VAL . 1.2 mp 32.95 -159.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.658 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 170.4 139.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.475 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.04 130.17 12.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.869 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -74.98 94.62 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -89.38 62.8 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mp -97.83 -172.53 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 109' ' ' PRO . 27.6 m -132.66 135.25 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.94 151.49 7.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 176.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -75.02 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.48 -49.65 5.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -41.93 -36.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -58.88 -75.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.677 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -56.23 -51.69 67.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' ALA . 73.7 t80 -35.83 -64.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.77 -44.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.4 -50.98 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -68.71 -50.77 48.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -116.65 84.67 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -120.53 151.36 39.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.6 -166.87 21.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -52.01 -23.01 4.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.517 ' O ' ' HE3' ' A' ' 25' ' ' MET . 4.4 m -61.14 171.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.002 ' HB ' HG13 ' A' ' 145' ' ' VAL . 15.5 m -92.67 50.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -167.16 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.22 -30.03 7.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.566 1.166 . . . . 0.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.634 ' HG3' HG22 ' A' ' 147' ' ' THR . 14.2 ptp -67.87 -10.99 57.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' ' C ' ' A' ' 147' ' ' THR . 12.5 t -61.26 -54.28 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.63 -20.08 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.51 ' OD2' HG12 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -94.13 137.99 22.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.613 ' HA ' ' HB3' ' A' ' 148' ' ' ALA . 18.3 Cg_endo -75.0 100.49 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.86 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 2.4 p 29.42 -106.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.751 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -16.46 -75.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 94.9 t -36.28 -61.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.96 -68.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.94 -29.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.732 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -81.5 46.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.993 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -154.64 -44.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 t-20 -55.36 134.73 69.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.11 3.83 5.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' C ' ' ND2' ' A' ' 73' ' ' ASN . 1.7 mm-40 -122.09 -5.12 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' ' 70' ' ' ALA . 54.6 mt -112.35 -28.91 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -38.65 -35.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -67.54 -51.49 50.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.904 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.97 -54.04 40.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.732 HG21 ' CB ' ' A' ' 35' ' ' SER . 2.0 m -45.48 -56.1 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.66 -40.23 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.53 -71.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.709 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -47.39 -61.06 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.527 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.7 OUTLIER -44.04 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.09 -20.59 1.1 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -47.0 -22.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -110.62 -44.48 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.899 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -111.78 95.93 30.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 12.3 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 52' ' ' ASN . 6.8 mt-30 -120.89 -3.4 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.899 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -123.44 176.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.8 p30 177.77 103.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.632 ' O ' ' C ' ' A' ' 58' ' ' VAL . 4.3 mm? -102.56 -45.75 4.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.649 HG13 ' H ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -20.17 -74.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' H ' HG13 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -34.55 -58.79 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.604 ' N ' ' O ' ' A' ' 57' ' ' LEU . 4.4 m -57.82 -53.36 59.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' CD2' HG21 ' A' ' 102' ' ' VAL . 10.0 mt -40.72 -44.79 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.95 49.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' THR . 28.9 m -110.92 -91.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.19 178.62 19.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.1 mt-30 -54.63 106.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -113.3 -177.95 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.956 HG23 ' HB ' ' A' ' 151' ' ' THR . 28.2 m -148.94 89.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.083 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.9 HG12 ' HB2' ' A' ' 70' ' ' ALA . 98.8 t -55.01 132.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.688 ' CD2' HG23 ' A' ' 103' ' ' VAL . 13.3 m-85 -122.9 74.84 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.9 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -103.83 124.24 38.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -137.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.904 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.05 122.21 7.04 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 155' ' ' ILE . 8.8 p -53.58 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.472 ' ND2' ' C ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -85.61 -7.17 58.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.7 -13.64 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB1' ' CA ' ' A' ' 157' ' ' SER . . . -73.96 -29.07 61.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 37.8 m-85 -91.46 -42.52 10.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -51.29 -23.17 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmp? -63.98 -31.33 72.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 158' ' ' VAL . 17.0 mt -78.83 153.54 77.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 136.77 20.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -39.76 -49.13 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 t -41.03 -50.79 3.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -51.54 69.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.571 HG22 ' CE ' ' A' ' 88' ' ' LYS . 35.7 mm -58.72 -53.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -48.83 -22.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 89' ' ' THR . 6.0 tp10 -88.68 -40.19 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.576 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.2 mt -65.6 -11.72 46.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.571 ' CE ' HG22 ' A' ' 84' ' ' ILE . 3.2 mtmp? -94.45 32.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.8 t -164.48 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' ND2' HD23 ' A' ' 87' ' ' LEU . 6.7 m-20 -60.39 172.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.6 p -158.6 24.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.22 -46.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -76.89 -28.36 55.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.846 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -89.05 -55.25 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -43.74 -35.88 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.2 OUTLIER -61.94 -41.13 97.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.508 HG13 ' CD ' ' A' ' 161' ' ' PRO . 3.5 mt -67.66 -50.4 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.846 HD21 ' CD1' ' A' ' 94' ' ' LEU . 1.5 mt -49.6 -64.87 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 102' ' ' VAL . 31.5 p -48.02 -50.11 28.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.722 ' CE2' ' O ' ' A' ' 160' ' ' MET . 24.0 t80 -57.76 -19.4 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.715 ' CE1' ' HG3' ' A' ' 71' ' ' PRO . 33.4 m-70 -91.27 22.25 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -159.59 124.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.921 HG11 ' CD ' ' A' ' 116' ' ' ARG . 14.8 t -108.23 148.03 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.735 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -87.17 95.68 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.05 105.5 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.44 113.93 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.412 ' HB ' HG13 ' A' ' 112' ' ' VAL . 5.7 m -122.54 151.01 41.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.622 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 54.1 p -88.71 161.28 42.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -74.98 47.98 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -156.19 21.77 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.544 ' O ' ' N ' ' A' ' 113' ' ' VAL . 47.9 m-20 -155.69 -50.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.622 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.07 -39.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 111' ' ' ASN . 73.2 t -37.9 141.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.06 -167.31 15.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 91.4 m -76.24 111.57 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.921 ' CD ' HG11 ' A' ' 103' ' ' VAL . 5.8 tpm_? -115.78 121.41 42.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.881 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.5 tt0 -79.94 113.71 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.549 ' HA ' HG13 ' A' ' 103' ' ' VAL . 5.1 p -85.75 174.33 9.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 104' ' ' ALA . 10.6 mt -53.94 -57.65 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -38.18 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 111.92 -29.41 8.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -63.79 172.95 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.3 129.58 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.666 ' CG2' HG13 ' A' ' 135' ' ' VAL . 9.1 p -103.98 119.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.2 m -79.03 109.92 13.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.02 HG22 HG22 ' A' ' 135' ' ' VAL . 42.3 t -102.26 148.14 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.6 OUTLIER -155.16 178.66 9.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.383 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.47 176.08 14.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -147.27 -62.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -119.7 -119.47 2.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -78.42 57.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.601 ' O ' HD12 ' A' ' 133' ' ' LEU . 0.3 OUTLIER 178.65 111.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' A' ' 140' ' ' VAL . 10.3 mp -127.58 158.19 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 135' ' ' VAL . 4.8 mttt -134.17 161.03 36.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.02 HG22 HG22 ' A' ' 126' ' ' VAL . 1.8 t -158.65 120.41 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.63 44.0 6.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.9 t30 88.16 -36.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.811 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -53.55 171.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.2 m-20 -121.66 115.13 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 133' ' ' LEU . 75.3 t -57.92 118.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 72' ' ' THR . 2.1 t -92.56 -40.97 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.8 t -163.24 103.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.5 164.0 12.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.79 21.29 56.26 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.002 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.2 t -90.98 52.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 71.6 m -44.76 133.28 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.7 p -97.9 -101.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -101.93 -62.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -138.08 23.07 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.86 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -148.01 142.58 26.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.956 ' HB ' HG23 ' A' ' 67' ' ' THR . 43.2 m -84.47 172.61 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.52 ' N ' HG22 ' A' ' 151' ' ' THR . 1.3 t -138.55 128.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 151' ' ' THR . 78.8 m-85 -136.41 87.09 2.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 1.9 mtm -56.71 142.1 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.811 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 2.0 pt -137.02 173.97 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 1.6 p-10 -110.62 36.14 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.626 ' CA ' ' HB1' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -170.53 143.92 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.89 HG23 ' CG ' ' A' ' 160' ' ' MET . 4.2 m -76.09 37.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.1 OUTLIER 34.43 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.89 ' CG ' HG23 ' A' ' 158' ' ' VAL . 14.1 mtp 86.08 138.82 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.508 ' CD ' HG13 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.01 115.68 4.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.8 17.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.83 56.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.453 HD13 HG21 ' A' ' 22' ' ' VAL . 2.7 mp -91.54 -171.14 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 5' ' ' GLY . 12.0 p -109.05 165.05 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 90.37 156.18 32.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.98 -36.79 5.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -42.28 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 -75.04 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.745 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -40.98 -53.51 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' OH ' ' CG ' ' A' ' 37' ' ' ASN . 64.9 t80 -43.76 -62.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.33 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -62.2 -43.54 98.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 -48.87 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -117.04 83.7 15.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.1 p -147.39 114.73 6.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.27 -149.85 7.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.52 5.29 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -87.11 -105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ALA . 86.9 p 39.99 -162.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.755 HG22 HG13 ' A' ' 145' ' ' VAL . 51.2 t -93.13 -25.08 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -96.72 -30.67 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.38 -23.17 59.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.482 ' CE ' HG11 ' A' ' 145' ' ' VAL . 15.8 ptp -96.7 -13.23 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -66.59 -74.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.996 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.5 mt-30 -38.21 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' SER . 67.7 m-20 -95.39 152.29 39.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.725 ' HA ' ' HB3' ' A' ' 148' ' ' ALA . 18.2 Cg_endo -75.04 157.96 42.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.648 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 1.9 p -29.95 -43.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 34' ' ' ALA . . . -56.23 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.659 HG12 ' OD1' ' A' ' 36' ' ' ASN . 94.3 t -38.7 -39.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.568 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.21 -46.7 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -86.24 -25.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.656 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -72.09 -0.98 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.659 ' OD1' HG12 ' A' ' 32' ' ' VAL . 33.8 m120 -107.14 -38.51 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.977 ' O ' HG23 ' A' ' 41' ' ' THR . 3.5 m-20 -59.2 131.02 87.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 1.93 7.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.673 ' O ' HD23 ' A' ' 40' ' ' LEU . 2.5 mm-40 -115.96 -3.74 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 39' ' ' GLU . 12.0 mt -119.9 -32.73 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.977 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.5 p -33.41 -37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.1 m -67.64 -56.91 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.931 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.62 -54.0 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.796 ' HA ' HD11 ' A' ' 47' ' ' LEU . 52.1 m -44.96 -62.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.2 -42.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -62.52 -72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -45.08 -64.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 1.061 ' HA ' HG23 ' A' ' 58' ' ' VAL . 1.3 p -37.25 -55.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.98 -22.21 3.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -44.09 -50.64 8.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD21 ' HZ2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -74.22 -48.86 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 1.017 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.53 99.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 11.84 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.485 ' CB ' ' CB ' ' A' ' 91' ' ' SER . 4.0 mt-30 -114.05 1.33 14.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.017 HG12 ' HB2' ' A' ' 52' ' ' ASN . 5.2 p -147.12 145.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.486 ' CG ' ' O ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -145.31 124.51 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 61' ' ' LEU . 44.1 mt -111.07 -30.44 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 1.061 HG23 ' HA ' ' A' ' 48' ' ' SER . 32.1 t -24.61 -66.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -46.88 -63.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' LEU . 84.8 m -52.16 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.781 HD23 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -39.0 -41.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -86.74 52.82 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 m -168.79 110.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.76 143.04 6.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.1 OUTLIER -58.96 117.84 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 61' ' ' LEU . 5.6 m-30 -116.02 -174.02 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.975 HG23 ' HB ' ' A' ' 151' ' ' THR . 45.3 m -152.88 85.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.883 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.5 t -51.3 138.16 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.0 m-85 -127.07 64.97 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.883 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.47 130.23 32.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -135.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.931 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.01 110.32 3.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.577 HG21 HG21 ' A' ' 141' ' ' VAL . 30.3 p -57.73 172.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.06 -30.35 66.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.48 -20.98 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.28 -41.67 56.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.726 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 43.9 m-85 -78.82 -50.26 11.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -44.67 -25.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 76' ' ' PHE . 3.4 mtmp? -61.89 -58.15 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.418 ' HB3' HG21 ' A' ' 83' ' ' THR . 15.2 mt -55.08 152.23 14.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.86 36.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.86 53.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -47.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.418 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.17 -52.93 63.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.908 HG22 ' HD2' ' A' ' 88' ' ' LYS . 42.1 mm -55.79 -55.9 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.95 -18.75 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' THR . 0.4 OUTLIER -86.21 -44.43 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD23 ' ND2' ' A' ' 90' ' ' ASN . 4.9 mt -63.23 -22.56 66.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.908 ' HD2' HG22 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -88.88 34.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.0 t -171.67 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.515 ' ND2' HD23 ' A' ' 87' ' ' LEU . 91.3 m-20 -43.0 -74.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER 68.33 13.09 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 -43.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -90.52 -27.74 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.737 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -78.27 -48.79 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 99' ' ' THR . 3.0 t -40.53 -45.73 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.9 -48.43 78.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.762 HG22 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -56.84 -57.64 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -50.35 -64.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 24.4 p -46.75 -43.33 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.65 ' CE2' ' O ' ' A' ' 160' ' ' MET . 29.2 t80 -68.53 -15.09 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.711 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 13.7 m-70 -95.19 19.15 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.622 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -156.09 115.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 117' ' ' GLN . 56.9 t -92.95 146.03 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.02 103.64 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.94 99.84 0.89 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 3.4 mt-30 -57.73 156.43 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.604 HG21 HH22 ' A' ' 116' ' ' ARG . 54.7 m -152.58 -102.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.8 OUTLIER 162.54 162.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 54.07 3.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.47 -45.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.43 ' C ' ' N ' ' A' ' 113' ' ' VAL . 4.3 m-20 -99.8 -37.56 9.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.65 HG23 ' NH2' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -42.53 -28.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.43 ' N ' ' C ' ' A' ' 111' ' ' ASN . 17.9 t -50.09 156.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.87 -172.81 54.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 45.6 m -59.49 140.76 55.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.757 . . . . 0.0 110.367 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.897 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -149.54 122.73 8.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.778 ' O ' HG13 ' A' ' 103' ' ' VAL . 30.1 tt0 -71.22 126.8 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.652 ' HA ' HG22 ' A' ' 103' ' ' VAL . 77.6 p -88.21 171.92 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -65.35 -26.27 67.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.485 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 24.3 tp60 -72.19 -6.58 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.14 -40.48 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -54.83 -173.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 p -125.13 148.31 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.897 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.7 p -119.19 128.39 75.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.3 m -83.43 97.45 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.867 HG13 ' CG2' ' A' ' 135' ' ' VAL . 3.0 t -92.28 150.43 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -149.54 173.99 13.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -164.49 139.91 6.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -170.39 62.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.283 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 107.4 -169.59 14.88 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.86 66.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 0.79 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.19 65.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.673 ' HB2' HG21 ' A' ' 140' ' ' VAL . 4.2 mt -59.52 177.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.673 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.1 OUTLIER -135.04 159.07 42.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.867 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.1 t -161.1 131.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 22.99 77.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.7 m120 44.24 54.54 6.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 135' ' ' VAL . . . -149.09 164.17 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 8.5 m-20 -115.22 117.68 31.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 133' ' ' LEU . 74.0 t -61.78 109.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.638 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -79.37 -53.99 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.0 t -151.54 105.78 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.54 165.35 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.53 23.02 57.4 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.755 HG13 HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -94.39 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 34.2 m -49.68 135.23 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.568 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 17.1 p -93.64 -116.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -96.0 -32.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -167.3 42.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -171.22 132.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.975 ' HB ' HG23 ' A' ' 67' ' ' THR . 52.8 m -73.6 168.37 19.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.555 HG22 ' HB ' ' A' ' 68' ' ' VAL . 1.3 t -137.86 131.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.691 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 85.4 m-85 -137.52 87.69 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.489 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -61.09 138.71 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.75 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.3 pp -136.37 165.68 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.467 ' O ' ' OG ' ' A' ' 157' ' ' SER . 22.7 p-10 -109.71 52.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.627 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 3.8 m -171.38 128.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 75' ' ' ALA . 69.0 t -73.91 78.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.711 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 2.5 mp -39.05 158.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.65 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 5.1 mtt -146.75 143.49 18.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.491 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.01 119.95 5.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.03 179.32 6.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -154.84 69.26 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? -101.2 -178.89 3.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.53 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -121.77 111.56 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.89 153.5 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.94 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.449 1.763 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.803 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.37 -48.95 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.41 -30.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -71.07 -69.85 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.47 -55.53 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' GLY . 57.2 t80 -43.33 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -44.82 -58.03 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.78 -28.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -92.11 -39.92 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.6 m-80 -125.4 74.19 68.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -22.59 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -125.74 -150.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.14 176.38 18.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' GLY . 18.3 Cg_endo -75.02 -10.71 21.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.595 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -78.76 -34.83 45.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 p -40.91 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.813 HG13 HG13 ' A' ' 145' ' ' VAL . 11.6 t -57.41 -32.68 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -94.12 -28.28 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . . . -63.9 -30.89 79.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.695 ' HG3' HG22 ' A' ' 147' ' ' THR . 8.2 ptp -83.35 -17.05 43.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.4 OUTLIER -62.82 -31.75 72.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.19 -14.76 58.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -94.11 142.2 24.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.0 96.54 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.796 HG11 ' O ' ' A' ' 61' ' ' LEU . 10.9 p 31.34 -120.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.768 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.7 -69.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 35' ' ' SER . 89.1 t -33.5 -61.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -29.62 -68.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -50.68 -46.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.594 ' CB ' HG21 ' A' ' 44' ' ' THR . 38.5 t -57.38 -16.39 8.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.53 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.5 m120 -129.38 17.98 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.588 ' O ' HG23 ' A' ' 41' ' ' THR . 3.1 m-20 -89.78 129.98 44.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 146.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.621 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.03 12.54 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.758 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.6 mt-10 -120.24 -19.34 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.027 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.87 -10.61 17.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.621 ' CG2' ' HA ' ' A' ' 38' ' ' PRO . 80.9 p -36.26 -36.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' LEU . 17.1 m -67.38 -55.28 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -55.28 -47.91 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.594 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -49.91 -59.22 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.27 -37.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.752 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.21 -69.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.753 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.52 ' HA ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -37.69 -56.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.04 -20.5 4.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -42.46 -37.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -74.05 -58.86 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.867 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -123.07 132.24 24.29 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.76 21.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 54' ' ' GLN . 2.0 mp0 -98.01 -7.12 30.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.896 HG11 HD23 ' A' ' 94' ' ' LEU . 3.3 m -106.99 135.1 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.848 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -166.93 96.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.913 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -103.69 -43.48 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.749 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -19.74 -78.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.749 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -32.07 -57.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.606 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.5 m -58.86 -50.04 75.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.796 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.09 -27.58 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.86 47.6 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -165.83 109.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.13 143.9 14.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.6 mt-30 -63.39 105.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.4 m-30 -111.2 -169.79 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.969 HG23 ' HB ' ' A' ' 151' ' ' THR . 95.6 m -153.73 90.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 70' ' ' ALA . 3.9 t -51.9 144.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 10.7 m-85 -135.74 65.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.867 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -102.34 128.17 28.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -136.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.801 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -75.02 112.55 3.59 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 35.5 p -62.61 -161.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.451 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 3.3 p30 -76.62 -30.83 57.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.79 21.23 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.81 -38.46 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.801 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 46.0 m-85 -88.54 -27.58 21.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.31 -10.02 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -29.71 61.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt -88.22 157.13 51.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.28 33.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.9 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 18.0 p -50.82 -36.99 40.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.46 -48.66 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.751 HG22 ' HE3' ' A' ' 88' ' ' LYS . 33.0 mm -60.94 -68.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ILE . 11.3 t70 -38.21 -31.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.649 ' O ' HG22 ' A' ' 89' ' ' THR . 0.9 OUTLIER -72.32 -48.1 44.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.34 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.583 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.5 mt -49.16 -33.07 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.751 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.2 28.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 86' ' ' GLU . 12.4 t -172.09 30.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.695 ' ND2' HD23 ' A' ' 93' ' ' LEU . 75.7 m-20 -119.38 -69.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p 70.56 8.42 6.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -44.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.695 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -87.58 -28.39 21.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.896 HD23 HG11 ' A' ' 55' ' ' VAL . 2.4 tp -74.31 -53.9 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.458 HG23 HD21 ' A' ' 57' ' ' LEU . 29.9 m -53.9 -39.59 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.573 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.3 OUTLIER -56.6 -40.36 75.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 101' ' ' HIS . 2.1 mt -64.17 -62.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -40.88 -59.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 1.056 HG22 HD11 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -45.85 -52.34 11.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.363 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.854 ' CE1' HG13 ' A' ' 124' ' ' VAL . 2.0 t80 -57.92 -20.53 37.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.661 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 88.6 m-70 -89.88 24.28 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.845 ' HB ' HD23 ' A' ' 119' ' ' LEU . 2.1 t -154.08 136.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 117' ' ' GLN . 61.0 t -125.74 133.43 69.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.02 110.42 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.31 79.33 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -44.04 130.08 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.333 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 17.1 m -150.59 126.52 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.5 p -55.42 167.38 0.74 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.07 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -135.47 -44.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 6.3 m120 -99.07 -17.91 18.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.492 HG13 HG11 ' A' ' 126' ' ' VAL . 1.5 p -66.74 -9.98 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 110' ' ' ALA . 11.4 p -75.07 154.69 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.84 -163.36 26.95 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 54.3 m -78.21 106.47 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.425 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.525 ' CB ' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -104.05 -175.05 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.901 ' O ' HG13 ' A' ' 103' ' ' VAL . 36.3 tt0 -135.57 133.99 38.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.745 HG21 ' CD1' ' A' ' 100' ' ' TYR . 16.8 p -105.08 152.36 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 99' ' ' THR . 0.7 OUTLIER -47.5 -25.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.51 ' HG2' ' OG1' ' A' ' 99' ' ' THR . 0.1 OUTLIER -60.44 -51.26 70.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.79 -22.13 3.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 159.04 23.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 p -85.67 157.72 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.854 HG13 ' CE1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -122.75 104.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.6 m -70.01 81.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.068 HG22 HG22 ' A' ' 135' ' ' VAL . 21.1 t -79.35 150.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.496 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -155.11 169.87 23.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 177.15 151.23 8.91 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -136.08 -75.95 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -126.81 -44.21 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -161.4 37.24 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 71.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 6.3 mp -80.06 153.23 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -136.69 165.5 25.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.068 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -160.17 97.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 80.92 -80.68 1.67 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -150.22 20.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -125.04 173.39 8.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.1 m-20 -116.8 125.53 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 97.0 t -59.72 117.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.803 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -83.19 -37.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 43.0 t -170.75 105.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.69 164.73 12.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.74 66.33 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.813 HG13 HG13 ' A' ' 22' ' ' VAL . 1.1 t -86.59 54.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 49.6 m -40.41 117.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.695 HG22 ' HG3' ' A' ' 25' ' ' MET . 21.1 p -84.03 -101.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -104.2 -76.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -124.2 42.91 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.11 136.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.969 ' HB ' HG23 ' A' ' 67' ' ' THR . 97.6 m -69.88 171.27 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -134.52 128.01 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 82.3 m-85 -137.0 88.31 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.542 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 12.2 mtm -65.19 152.81 42.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.665 ' CA ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -144.98 -177.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.96 27.94 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.85 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -159.24 145.0 16.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.9 OUTLIER -77.21 21.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.963 HD21 ' CG1' ' A' ' 135' ' ' VAL . 0.1 OUTLIER 46.41 -86.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.61 ' N ' ' O ' ' A' ' 158' ' ' VAL . 1.5 mtm 88.42 139.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.573 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 110.35 3.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 160' ' ' MET . 18.4 Cg_endo -75.01 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.87 156.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 2.2 mm? -79.24 175.02 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.451 HG23 HD22 ' A' ' 133' ' ' LEU . 2.8 m -125.8 118.83 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.45 148.8 5.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -171.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.782 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.58 -40.42 2.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -39.43 -31.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.01 -69.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.68 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 5.9 mt-10 -46.36 -53.08 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.448 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 58.5 t80 -44.07 -63.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.16 -47.96 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -41.97 -39.26 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.12 -44.06 12.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -124.79 81.08 61.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.09 7.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -131.06 -171.21 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.94 -178.4 32.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.26 20.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . . . -84.46 -29.01 26.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 34.9 p -39.44 156.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.684 ' HB ' HG13 ' A' ' 145' ' ' VAL . 4.4 m -69.04 -9.26 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -113.04 -25.79 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.75 -42.2 32.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.795 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.0 ptp -59.79 -13.47 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.1 OUTLIER -65.21 -38.67 91.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -69.71 -6.76 33.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.51 ' CG ' HG12 ' A' ' 32' ' ' VAL . 75.7 m-20 -103.84 142.33 24.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.5 Cg_endo -74.96 94.52 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.708 ' O ' ' C ' ' A' ' 31' ' ' ALA . 10.3 p 35.34 -124.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.708 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -6.92 -70.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.58 -63.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.795 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.13 -67.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.702 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -49.67 -47.77 49.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.594 ' O ' HG22 ' A' ' 41' ' ' THR . 5.5 t -41.96 -32.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 7.4 m-80 -135.48 35.56 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.727 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -84.88 131.51 48.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 127.262 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 10.23 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.434 1.755 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.799 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -119.83 -16.53 8.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.035 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -106.84 -15.1 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -38.83 -34.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.9 m -70.1 -51.95 27.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.868 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -55.48 -49.28 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.656 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -50.37 -60.3 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.349 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.52 -37.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -68.04 -72.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -45.28 -61.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.555 ' HA ' HG12 ' A' ' 58' ' ' VAL . 3.9 t -44.33 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 154.0 -20.49 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.519 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 10.8 mt-30 -41.65 -25.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -90.58 -53.02 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.832 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -125.55 129.15 24.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 4.19 4.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -118.02 5.05 12.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.832 HG13 ' HB3' ' A' ' 52' ' ' ASN . 4.1 m -118.9 132.43 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 4.5 p30 -155.36 92.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 60' ' ' THR . 2.5 mm? -97.28 -38.59 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 59' ' ' ASP . 7.6 p -40.21 -58.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.574 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.5 m-20 -49.78 -32.72 14.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -82.55 -65.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.593 HD22 HG21 ' A' ' 102' ' ' VAL . 3.4 mt -32.18 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' THR . 1.2 m-20 -81.53 51.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.9 m -124.64 -89.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.58 172.81 25.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.8 mt-30 -63.02 110.01 1.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 61' ' ' LEU . 15.5 m-30 -115.36 -168.47 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.977 HG23 ' HB ' ' A' ' 151' ' ' THR . 25.9 m -148.51 86.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 70' ' ' ALA . 74.4 t -49.93 136.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 103' ' ' VAL . 9.3 m-85 -129.34 67.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.766 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -100.91 126.39 35.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -138.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.868 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.559 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 40.8 p -53.93 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 110.427 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.02 -27.88 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.45 -14.72 62.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -84.52 -75.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.685 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 59.6 m-85 -42.51 -29.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.6 t -59.43 -51.14 71.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -43.96 -57.24 3.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.73 HD11 ' HB ' ' A' ' 158' ' ' VAL . 26.9 mt -51.7 145.73 15.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.93 156.46 43.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.19 -44.88 64.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.5 -56.45 5.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -46.58 65.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 mm -63.4 -45.75 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -60.92 -22.16 64.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.36 -44.07 18.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.617 ' O ' HD22 ' A' ' 94' ' ' LEU . 6.3 mt -58.76 -18.95 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.513 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 7.3 mttt -92.73 27.7 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.2 t -173.4 33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' C ' ' OG ' ' A' ' 91' ' ' SER . 92.2 m-20 -117.89 -70.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 63.09 10.67 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.034 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.82 -43.94 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -92.4 -24.68 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.819 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 52.8 m -53.16 -39.57 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -58.44 -37.57 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.626 HG23 ' HD2' ' A' ' 101' ' ' HIS . 3.0 mt -67.78 -51.67 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 94' ' ' LEU . 1.4 mt -51.32 -62.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 120' ' ' GLN . 2.3 p -50.47 -43.25 55.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 160' ' ' MET . 42.9 t80 -69.98 -10.05 57.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 159' ' ' LEU . 10.8 m-70 -99.45 16.67 22.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.637 HG22 HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -154.93 116.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 117' ' ' GLN . 89.5 t -92.71 151.71 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.58 33.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 112.28 90.0 1.88 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -41.43 141.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.2 m -159.18 129.28 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -66.91 167.14 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.97 49.2 2.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.72 -46.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -96.48 -25.48 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.501 HG13 HG11 ' A' ' 126' ' ' VAL . 1.3 p -54.69 -24.01 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.86 129.97 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.72 -162.52 12.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.421 HG23 ' HB3' ' A' ' 123' ' ' SER . 18.7 m -75.84 112.11 11.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.415 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.931 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.3 mmm180 -118.25 113.66 21.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.598 ' O ' HG13 ' A' ' 103' ' ' VAL . 16.4 tt0 -67.84 115.77 7.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.491 HG22 HG22 ' A' ' 103' ' ' VAL . 60.4 p -76.05 147.04 38.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.637 HD23 HG22 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -41.49 -30.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.425 ' N ' ' C ' ' A' ' 118' ' ' THR . 0.5 OUTLIER -58.41 -57.81 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.37 -25.67 1.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -74.3 -173.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.421 ' HB3' HG23 ' A' ' 115' ' ' THR . 0.7 OUTLIER -121.74 139.73 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.931 HG12 ' O ' ' A' ' 116' ' ' ARG . 6.2 p -115.02 111.41 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.7 m -76.55 100.49 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.702 HG13 HG22 ' A' ' 135' ' ' VAL . 5.3 t -91.94 149.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.454 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -151.53 -176.95 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 143.16 163.11 9.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.533 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.6 tt0 157.48 93.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' ASN . . . 107.17 76.06 0.97 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 130' ' ' GLY . 30.5 m120 37.42 51.11 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.761 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.96 109.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.549 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 9.5 mp -116.84 149.6 39.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.86 161.34 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.702 HG22 HG13 ' A' ' 126' ' ' VAL . 2.3 t -150.58 111.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 60.87 -78.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -149.65 21.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.681 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -118.36 175.53 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -116.97 117.03 28.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.549 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 79.0 t -57.15 104.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.782 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.1 t -71.52 -44.66 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 34.8 t -164.58 106.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.34 167.13 12.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.46 24.4 58.92 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.684 HG13 ' HB ' ' A' ' 22' ' ' VAL . 3.0 t -99.2 56.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 16.1 m -40.92 116.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.593 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.2 p -78.94 -95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -115.18 -74.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -121.23 42.75 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.535 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . 179.95 141.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.977 ' HB ' HG23 ' A' ' 67' ' ' THR . 46.8 m -72.98 173.42 9.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.487 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -135.72 126.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.578 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 76.2 m-85 -136.97 82.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.559 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 13.6 mtm -60.65 144.29 52.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.681 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.5 OUTLIER -133.15 175.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -117.11 39.8 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 16.8 m -167.37 141.06 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.73 ' HB ' HD11 ' A' ' 79' ' ' LEU . 94.0 t -77.64 74.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -35.87 153.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.699 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 14.3 mtt -145.14 148.83 39.68 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.449 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.98 122.54 7.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.02 64.59 6.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 62.12 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.663 ' CD1' HG11 ' A' ' 22' ' ' VAL . 1.7 mt 46.51 -171.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 143' ' ' GLY . 14.1 p -135.54 166.32 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 87.8 157.32 31.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 176.29 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.98 -72.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.526 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.45 -34.2 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.4 OUTLIER -43.6 -54.91 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -55.65 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -37.74 -47.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 81.4 t80 -57.16 -55.19 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -46.92 -42.97 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -57.22 -35.22 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.91 -44.7 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.622 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 61.5 m-80 -124.35 74.17 60.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -60.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.563 1.823 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 18' ' ' GLY . 8.8 p -116.42 -11.89 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.81 -177.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.03 8.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.744 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -90.93 37.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -108.23 176.81 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.043 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.663 HG11 ' CD1' ' A' ' 3' ' ' LEU . 3.2 m -67.04 -32.94 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.86 -41.85 12.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.1 -17.77 11.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.7 ' CG ' HG22 ' A' ' 147' ' ' THR . 22.4 ptp -105.5 -9.44 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 147' ' ' THR . 20.0 m -76.56 -26.39 55.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -86.37 -8.0 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 2.0 m-20 -116.13 163.84 20.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.06 138.45 22.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.683 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m -21.42 -52.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . . . -46.25 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 32' ' ' VAL . 11.9 t -42.09 -39.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.736 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -42.36 -35.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.92 -33.61 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' VAL . 8.7 t -54.02 -22.32 10.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 35.8 m-80 -78.63 -44.78 23.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.846 ' O ' HG23 ' A' ' 41' ' ' THR . 31.4 t-20 -61.63 132.24 93.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -170.612 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.01 5.54 3.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 2.6 mm-40 -124.3 -1.19 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.55 HD21 ' SD ' ' A' ' 154' ' ' MET . 27.9 mt -116.14 -29.28 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.8 p -38.51 -33.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -69.51 -53.78 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -62.45 -52.76 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.717 ' HA ' HD11 ' A' ' 47' ' ' LEU . 57.4 m -47.57 -55.56 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -43.56 -38.49 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.66 -72.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.917 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -44.81 -61.7 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.867 ' HA ' HG23 ' A' ' 58' ' ' VAL . 56.9 p -43.61 -50.35 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 134.97 -23.59 3.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.557 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.5 mm-40 -36.84 -54.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HB3' ' ND2' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -65.68 -57.06 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.618 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -110.52 118.29 49.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 4.23 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -112.91 6.6 17.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG21 HD21 ' A' ' 94' ' ' LEU . 37.9 t -124.93 158.4 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -174.42 93.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -107.64 13.41 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.867 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.1 t -69.75 -35.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.38 -47.94 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.436 ' C ' ' N ' ' A' ' 62' ' ' ASN . 18.0 m -65.46 -64.56 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.386 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.711 HD12 HD13 ' A' ' 47' ' ' LEU . 4.1 mt -39.93 -29.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 60' ' ' THR . 7.5 t-20 -99.48 57.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.44 107.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.14 139.65 10.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.0 mt-30 -57.57 107.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 10.0 m-30 -112.76 -176.45 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.972 HG23 ' HB ' ' A' ' 151' ' ' THR . 24.1 m -150.86 84.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.856 HG12 ' HB2' ' A' ' 70' ' ' ALA . 12.1 t -50.57 134.15 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.675 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.4 m-85 -123.0 65.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.856 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.77 129.95 34.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -137.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.95 110.53 3.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.598 HG22 ' SD ' ' A' ' 154' ' ' MET . 27.6 p -54.45 177.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -69.02 -13.86 62.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.09 -22.2 24.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.07 -43.49 52.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.69 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.6 m-85 -73.1 -30.25 63.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.2 t -66.04 -30.91 71.52 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -57.77 -59.25 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 158' ' ' VAL . 43.3 mt -54.33 152.11 12.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.7 42.99 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -53.76 -54.1 42.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.0 m -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -51.59 68.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.9 mm -58.48 -46.61 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -16.94 44.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 89' ' ' THR . 1.4 tp10 -87.7 -39.43 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.728 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.6 mt -66.93 -14.11 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -91.39 30.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.4 t -167.48 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.527 ' ND2' HD23 ' A' ' 87' ' ' LEU . 89.4 m-20 -40.18 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.417 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 23.0 t 66.69 9.82 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -136.02 -44.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -87.05 -24.95 24.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.755 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -81.45 -39.42 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -53.1 -45.59 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.584 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.8 OUTLIER -52.51 -37.0 56.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 98' ' ' LEU . 2.3 mt -68.71 -63.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.755 HD21 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -43.43 -54.86 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.529 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.9 p -50.72 -50.18 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.742 ' CE1' HG13 ' A' ' 124' ' ' VAL . 3.0 t80 -62.61 -12.14 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.665 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 33.9 m-70 -96.69 24.2 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -159.23 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.949 HG22 ' HA ' ' A' ' 118' ' ' THR . 25.4 t -107.47 138.31 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.38 107.15 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 163.35 -41.9 0.33 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.483 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.3 OUTLIER 75.69 121.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 21.9 m -159.71 128.33 5.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 1.7 p -61.51 169.67 2.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.03 46.1 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.779 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.34 -43.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 3.8 m120 -102.15 -19.8 14.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.712 HG13 HG11 ' A' ' 126' ' ' VAL . 1.2 p -53.04 -21.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.694 HG23 ' HA ' ' A' ' 127' ' ' THR . 11.1 p -68.91 142.64 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.04 -170.8 17.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.7 m -70.15 98.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.408 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.682 ' NH2' HG21 ' A' ' 67' ' ' THR . 0.0 OUTLIER -92.49 170.52 9.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.803 ' O ' HG13 ' A' ' 103' ' ' VAL . 37.2 tt0 -125.22 120.64 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.949 ' HA ' HG22 ' A' ' 103' ' ' VAL . 2.5 p -87.09 148.47 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.029 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -54.59 -24.21 20.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 1.029 ' N ' HD23 ' A' ' 119' ' ' LEU . 14.4 tm0? -63.99 -42.62 97.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 136.1 -39.42 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.597 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -64.53 170.82 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 m -100.17 155.54 17.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.84 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.5 107.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -76.09 91.25 3.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.102 HG22 HG22 ' A' ' 135' ' ' VAL . 12.0 t -90.7 147.04 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.694 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -152.83 166.2 33.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' GLN . . . 155.88 -148.19 17.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 128' ' ' GLY . 21.8 tt0 178.62 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.58 -59.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -107.7 49.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.0 t 174.35 128.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 127' ' ' THR . 8.0 mt -143.44 129.52 19.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.73 154.42 47.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.102 HG22 HG22 ' A' ' 126' ' ' VAL . 1.1 t -144.58 120.52 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.95 -82.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.3 OUTLIER -150.8 24.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -121.78 171.73 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.71 119.08 36.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 94.6 t -60.66 105.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.526 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.8 t -75.47 -57.07 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.6 t -146.67 105.81 3.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.543 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.88 169.49 12.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.26 16.81 75.49 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.2 t -85.17 64.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -50.86 124.29 10.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.736 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.2 p -93.53 -106.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -103.9 -73.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.461 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -122.73 40.73 3.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.653 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -176.33 159.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.972 ' HB ' HG23 ' A' ' 67' ' ' THR . 24.7 m -96.74 -179.4 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.657 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -144.02 129.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.543 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 80.8 m-85 -137.55 87.05 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.598 ' SD ' HG22 ' A' ' 72' ' ' THR . 3.1 mtm -60.78 138.39 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.73 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -134.47 169.68 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.492 ' O ' ' OG ' ' A' ' 157' ' ' SER . 30.2 p-10 -113.92 52.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.9 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.8 m -172.56 129.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 75' ' ' ALA . 70.9 t -75.1 77.21 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.604 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.2 mp -38.06 151.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.508 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 10.8 mtt -143.88 146.5 34.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.584 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.95 122.54 7.29 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.597 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.97 73.77 4.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' LEU . 4.9 m-20 -78.17 137.96 38.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD11 HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER 46.16 -170.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 5' ' ' GLY . 7.4 p -136.86 168.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.516 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.26 151.79 11.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -175.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -64.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -42.38 -39.04 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.23 -34.14 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -72.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -53.09 -55.92 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 71.8 t80 -36.87 -64.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.82 -50.51 14.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -51.32 -39.95 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.59 -45.84 28.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -124.21 76.68 60.49 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.05 -30.77 6.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -129.68 178.02 6.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.68 -178.76 31.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -12.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -86.61 2.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.0 p -81.98 165.59 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.583 ' HB ' HG13 ' A' ' 145' ' ' VAL . 24.9 m -69.33 -29.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' SER . 8.4 tt0 -87.42 -57.51 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.93 -62.6 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.837 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.8 ptp -49.04 -28.19 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 1.4 t -60.15 -15.86 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -92.63 12.5 22.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.546 ' CG ' HG12 ' A' ' 32' ' ' VAL . 68.1 m-20 -129.86 151.63 78.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.855 HG11 ' O ' ' A' ' 61' ' ' LEU . 11.0 p 28.16 -118.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.845 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -7.45 -71.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' A' ' 35' ' ' SER . 57.5 t -36.47 -61.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.837 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.17 -67.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.702 ' OG ' HG21 ' A' ' 44' ' ' THR . 3.5 t -77.85 47.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -160.71 -43.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' THR . 3.2 t-20 -44.98 126.27 5.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 164.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 72' ' ' THR . 2.1 mt-10 -122.14 -4.9 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.774 HD22 ' HB1' ' A' ' 70' ' ' ALA . 25.6 mt -113.07 -25.76 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -47.87 -41.34 23.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.418 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.533 HG23 ' CD2' ' A' ' 76' ' ' PHE . 2.5 t -61.11 -29.3 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.925 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -85.44 -43.37 13.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.702 HG21 ' OG ' ' A' ' 35' ' ' SER . 1.0 OUTLIER -48.77 -59.25 3.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -37.82 -36.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.01 -69.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.843 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -50.57 -61.74 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.701 ' HA ' HG23 ' A' ' 58' ' ' VAL . 4.1 p -41.45 -65.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 149.04 -21.86 1.25 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 28.2 mt-30 -36.63 -40.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -70.53 -50.31 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -136.34 130.63 18.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 6.76 3.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.82 4.91 20.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 94' ' ' LEU . 50.9 t -125.51 142.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 48' ' ' SER . 5.4 p30 -165.79 107.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' ASP . 8.0 mp -110.68 -27.25 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' A' ' 48' ' ' SER . 41.4 t -37.16 -31.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 57' ' ' LEU . 1.5 t70 -75.86 -54.65 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.4 m -60.98 -54.4 45.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.855 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -49.97 -35.05 22.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' OD1' ' HB3' ' A' ' 31' ' ' ALA . 7.2 m-20 -90.08 54.43 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 109.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.45 137.58 5.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.7 mt-30 -53.92 109.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 8.0 m-30 -113.24 -170.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.997 HG23 ' HB ' ' A' ' 151' ' ' THR . 71.5 m -154.84 88.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 152' ' ' VAL . 6.4 t -51.64 145.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 9.1 m-85 -135.95 69.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.774 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -97.47 127.55 37.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -141.446 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.925 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.0 Cg_endo -75.02 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.578 HG21 HG21 ' A' ' 141' ' ' VAL . 14.7 p -53.02 -179.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -70.21 -29.65 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.27 14.76 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 157' ' ' SER . . . -103.76 -30.62 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.846 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 30.7 m-85 -89.38 -37.95 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -60.06 -13.99 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.31 -25.03 65.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.59 HD11 ' CG2' ' A' ' 158' ' ' VAL . 24.7 mt -92.99 156.63 40.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.52 40.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.85 31.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.8 p -54.37 -56.16 21.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.485 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -50.98 -47.26 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.844 HG22 ' HE3' ' A' ' 88' ' ' LYS . 34.9 mm -60.48 -69.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -37.96 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 1.004 ' O ' HG22 ' A' ' 89' ' ' THR . 1.6 tp10 -71.63 -48.77 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 84' ' ' ILE . 6.2 mt -48.15 -33.93 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.844 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.03 39.44 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.0 t -167.48 -31.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.523 ' CG ' HD23 ' A' ' 93' ' ' LEU . 57.2 m-20 -63.05 -71.15 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.527 ' HA ' HD23 ' A' ' 94' ' ' LEU . 1.2 p 86.04 -39.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -93.62 -55.11 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -60.96 -30.64 70.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.998 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -77.31 -47.12 20.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.446 ' O ' ' OG1' ' A' ' 99' ' ' THR . 2.8 m -54.3 -44.04 71.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.4 OUTLIER -51.42 -41.56 60.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.505 HG22 HD23 ' A' ' 98' ' ' LEU . 1.9 mt -65.12 -56.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.998 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -48.74 -61.23 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.45 ' HB ' ' N ' ' A' ' 120' ' ' GLN . 0.9 OUTLIER -44.35 -49.4 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.397 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.747 ' CE1' HG13 ' A' ' 124' ' ' VAL . 1.0 OUTLIER -57.3 -28.3 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.731 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 60.3 m-70 -83.64 22.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 101' ' ' HIS . 1.9 t -154.56 141.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.863 HG22 ' HA ' ' A' ' 118' ' ' THR . 4.0 t -123.81 150.49 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -98.07 109.85 22.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 119.94 85.95 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -35.3 132.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.8 m -141.39 133.85 28.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -71.96 164.02 62.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.04 1.62 7.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.06 -15.16 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 113' ' ' VAL . 28.9 m120 -118.9 -38.74 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 109' ' ' PRO . 4.5 p -41.84 -28.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.478 ' HA ' HG12 ' A' ' 126' ' ' VAL . 73.7 t -56.45 136.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.07 -176.81 20.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 123' ' ' SER . 23.0 m -74.82 122.1 22.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.682 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -122.84 169.02 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -111.83 116.89 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.868 HG23 HG22 ' A' ' 124' ' ' VAL . 19.3 p -84.32 175.26 9.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 30.8 mt -61.0 -46.73 89.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.45 ' N ' ' HB ' ' A' ' 99' ' ' THR . 21.7 tp60 -58.38 -17.21 18.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 122' ' ' ALA . . . 105.98 -53.18 0.65 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.482 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -38.61 149.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 19.5 p -82.77 158.99 22.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.868 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -122.97 105.49 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.7 m -71.45 80.59 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.054 HG22 HG22 ' A' ' 135' ' ' VAL . 21.0 t -80.72 144.78 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 126' ' ' VAL . 0.2 OUTLIER -155.47 179.5 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.422 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 134.46 -111.9 0.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 33.6 tt0 85.36 -60.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 131' ' ' ASN . . . -96.05 67.11 1.06 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 130' ' ' GLY . 23.2 m120 61.03 145.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 t 66.21 97.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.493 ' HB3' HG21 ' A' ' 140' ' ' VAL . 10.9 mp -95.8 166.09 11.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 135' ' ' VAL . 5.3 mtpt -137.04 160.81 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.054 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -157.99 122.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 47.05 40.23 12.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 19.6 t30 87.95 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.75 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -59.95 176.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 3.0 m-20 -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 133' ' ' LEU . 79.0 t -59.17 111.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.578 HG21 HG21 ' A' ' 72' ' ' THR . 2.6 t -82.07 -52.48 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 24.2 t -154.53 105.58 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.46 172.19 14.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 15.96 79.96 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.583 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.4 t -84.98 57.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.1 m -48.29 115.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 33' ' ' ALA . 1.1 p -79.53 -97.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.12 -71.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -126.12 43.63 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -178.04 137.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.997 ' HB ' HG23 ' A' ' 67' ' ' THR . 55.3 m -75.98 174.41 10.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.63 HG22 ' HB ' ' A' ' 68' ' ' VAL . 2.4 t -141.23 129.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.657 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 84.8 m-85 -136.41 95.75 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.672 ' HG2' HD21 ' A' ' 40' ' ' LEU . 1.6 mtp -67.13 143.14 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.75 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -132.63 -175.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 2.0 p-10 -120.1 37.52 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 156' ' ' ASP . 0.7 OUTLIER -172.16 132.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.801 ' O ' HG23 ' A' ' 158' ' ' VAL . 4.1 m -73.72 67.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.805 HD11 ' CG1' ' A' ' 135' ' ' VAL . 57.6 mt -21.29 131.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.442 ' O ' ' HE2' ' A' ' 100' ' ' TYR . 8.2 mtt -122.77 143.18 39.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 125.26 9.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -74.98 164.81 32.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.557 1.819 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.969 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -143.18 88.29 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.2 mm? 46.33 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 143' ' ' GLY . 4.3 p -138.36 152.82 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.14 152.96 27.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 -165.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.94 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.763 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.805 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -43.13 -48.55 6.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -40.88 -30.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -69.03 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.37 -53.71 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 42.6 t80 -35.87 -64.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -44.44 -53.51 6.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -47.0 -33.25 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -83.76 -41.19 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.36 77.4 60.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.03 -33.44 4.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -139.22 167.49 21.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.7 -160.42 13.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.2 Cg_endo -75.01 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.855 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -71.22 60.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' PRO . 81.5 p -142.54 173.56 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.052 HG22 HG13 ' A' ' 145' ' ' VAL . 56.4 t -65.45 -53.34 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -74.48 -32.89 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -45.13 97.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.676 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 16.9 ptp -77.64 -7.83 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -79.69 -28.51 40.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.944 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -78.46 -2.51 38.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 1.3 m-20 -130.3 167.77 19.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 158.55 42.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.607 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 4.1 p -38.09 -35.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -62.03 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 31' ' ' ALA . 29.0 t -32.27 -43.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -40.2 -68.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -42.75 88.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.621 ' HA ' HG21 ' A' ' 44' ' ' THR . 4.1 m -46.45 -27.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -67.58 -44.8 77.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.911 ' O ' HG23 ' A' ' 41' ' ' THR . 16.9 t-20 -71.59 137.83 83.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -155.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.855 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.03 1.79 7.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.1 mm-40 -122.57 -3.2 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 154' ' ' MET . 12.6 mt -118.5 -24.37 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -40.6 -35.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.614 HG23 ' CE2' ' A' ' 76' ' ' PHE . 7.4 t -69.75 -48.9 57.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.913 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.45 -55.49 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.666 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.4 m -47.58 -52.08 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -46.04 -36.82 6.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.22 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.913 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.47 -62.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 1.079 ' HA ' HG23 ' A' ' 58' ' ' VAL . 65.1 p -45.02 -54.33 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 135.68 -20.72 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.516 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.7 mt-30 -37.7 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.41 -52.16 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 88' ' ' LYS . 0.8 OUTLIER -128.62 125.5 23.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 3.25 5.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -105.38 -0.76 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 t -131.6 127.05 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' SER . 9.3 p30 -143.32 118.79 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -126.94 10.35 6.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 1.079 HG23 ' HA ' ' A' ' 48' ' ' SER . 2.2 t -53.29 -46.28 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -84.33 -45.83 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.7 m -55.17 -16.72 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -91.51 -48.01 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.554 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 23.3 p-10 -79.2 46.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.42 -88.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.63 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -124.64 -172.37 13.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -46.21 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 4.3 m-30 -114.54 -178.65 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.752 HG23 ' HB ' ' A' ' 151' ' ' THR . 17.4 m -155.69 88.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 70' ' ' ALA . 3.4 t -52.0 141.76 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 11.4 m-85 -131.23 70.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -104.14 131.15 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -136.066 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.906 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.95 125.99 9.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 155' ' ' ILE . 22.7 p -69.04 174.11 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -64.73 -13.75 55.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.26 -19.6 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.94 -36.47 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.778 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 34.6 m-85 -78.32 -21.95 48.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -20.26 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -60.79 -60.69 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HB3' HG21 ' A' ' 83' ' ' THR . 21.1 mt -54.32 152.76 10.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.1 144.48 29.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.32 -52.06 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -50.04 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -60.71 -48.97 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.4 mm -61.08 -57.01 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.98 -24.05 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -80.57 -43.58 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 4.7 mt -56.06 -17.83 8.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 9.5 mttt -91.63 11.32 24.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.4 t -145.23 12.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 1.8 m-20 -118.57 165.52 13.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -153.7 22.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.77 -48.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.07 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -77.0 -27.69 54.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.913 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.65 -49.21 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.433 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 4.1 m -49.87 -51.95 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 4.3 m -45.23 -41.94 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.691 HG22 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -65.24 -57.0 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.913 HD21 HD12 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -49.04 -58.11 5.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.543 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.2 p -51.99 -45.93 64.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' O ' ' A' ' 160' ' ' MET . 20.6 t80 -64.73 -12.76 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.672 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 52.2 m-70 -95.2 22.75 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.458 HG13 HD22 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -159.26 128.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 118' ' ' THR . 2.9 t -103.91 161.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -118.87 99.74 6.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 161.99 -51.55 0.33 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.613 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 81.57 129.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 110.309 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 5.9 m -162.82 126.79 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 p -49.91 165.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 50.69 2.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.67 -45.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.491 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 2.4 m120 -98.07 -28.9 13.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.19 -22.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 127' ' ' THR . 1.3 p -66.11 165.92 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.25 -100.0 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.7 m -144.79 125.13 13.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.736 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.9 tpt180 -122.93 149.76 43.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.536 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 50.8 tt0 -94.04 116.21 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.834 ' HA ' HG22 ' A' ' 103' ' ' VAL . 52.4 p -76.37 153.38 35.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.971 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -60.19 -23.78 64.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.971 ' N ' HD23 ' A' ' 119' ' ' LEU . 13.6 tp60 -61.44 -34.68 75.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.98 -9.96 11.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -94.52 175.22 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.737 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 p -101.01 152.23 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 116' ' ' ARG . 2.5 p -128.74 101.15 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m -66.53 100.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 135' ' ' VAL . 23.7 t -94.19 155.46 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.716 ' O ' HD23 ' A' ' 133' ' ' LEU . 1.4 p -154.07 -178.5 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 132' ' ' SER . . . 136.52 159.5 8.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.462 ' HB3' ' O ' ' A' ' 128' ' ' GLY . 16.2 pt20 172.65 131.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 43.69 79.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.3 m120 60.03 67.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.495 ' O ' ' CA ' ' A' ' 128' ' ' GLY . 2.9 t 179.47 131.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 127' ' ' THR . 9.9 mt -152.85 124.08 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 139' ' ' ASP . 0.0 OUTLIER -129.57 142.89 50.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.82 HG12 HD21 ' A' ' 159' ' ' LEU . 2.1 t -135.3 126.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.56 38.11 7.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 14.8 t30 89.4 -31.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.732 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -60.74 179.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 40.5 m-20 -125.38 117.86 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -58.0 108.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.805 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.8 t -77.61 -50.89 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.83 105.07 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.34 163.54 12.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.23 18.23 57.78 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.052 HG13 HG22 ' A' ' 22' ' ' VAL . 1.2 t -91.23 69.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 11.4 m -58.44 130.75 48.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.535 HG22 ' CG ' ' A' ' 25' ' ' MET . 1.8 p -88.8 -104.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -110.61 -43.21 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -150.32 33.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -164.97 151.05 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.752 ' HB ' HG23 ' A' ' 67' ' ' THR . 33.1 m -92.97 170.33 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 145' ' ' VAL . 1.4 t -136.87 127.08 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.637 ' HE2' HG23 ' A' ' 67' ' ' THR . 91.1 m-85 -135.29 90.78 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 40' ' ' LEU . 5.1 mtm -63.62 145.97 54.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.703 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 0.1 OUTLIER -135.51 -179.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 156' ' ' ASP . 1.6 p-10 -117.15 36.84 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.732 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 47.1 m -164.59 150.14 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.962 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 158' ' ' VAL . 85.0 t -73.45 11.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.82 HD21 HG12 ' A' ' 135' ' ' VAL . 14.6 mt 51.67 -86.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.703 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.7 mtp 82.54 137.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 129.08 12.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.414 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.5 Cg_endo -74.95 144.53 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.979 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -175.36 49.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.607 HD22 HG11 ' A' ' 22' ' ' VAL . 3.0 mp -87.27 -171.74 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.538 HG11 ' CB ' ' A' ' 109' ' ' PRO . 7.6 p -131.12 167.14 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.532 ' N ' HG22 ' A' ' 4' ' ' VAL . . . 92.93 157.92 33.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 165.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.3 Cg_endo -74.98 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.911 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -50.04 -42.96 40.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.627 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -56.19 -18.98 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -82.46 -63.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 46.6 mt-10 -64.79 -53.31 48.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 46.3 t80 -38.97 -64.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.21 -49.99 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -48.58 -43.67 36.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -76.54 -50.38 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -119.74 82.96 27.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.78 4.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 p -135.64 -171.93 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.93 -178.01 34.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.16 8.93 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.552 ' O ' ' HE3' ' A' ' 25' ' ' MET . 61.2 p -87.18 164.1 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.132 HG12 HG13 ' A' ' 145' ' ' VAL . 19.0 m -61.57 -33.86 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -94.05 -47.3 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -48.51 -23.75 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.605 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 18.6 ptp -93.13 -25.23 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' GLN . 27.6 m -55.5 -21.75 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -91.32 25.89 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.643 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -140.18 152.97 68.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.93 95.59 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.795 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.6 p 27.03 -104.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.91 ' HB1' HG23 ' A' ' 58' ' ' VAL . . . -17.45 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.594 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 74.7 t -36.0 -58.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -38.09 -50.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -66.4 -40.77 89.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.683 ' HB3' HG21 ' A' ' 44' ' ' THR . 6.5 p -49.25 -22.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -81.2 -35.09 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HB3' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t-20 -64.52 134.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -172.541 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.847 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.97 1.14 8.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -122.01 -2.77 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.85 HD22 ' HB1' ' A' ' 70' ' ' ALA . 26.8 mt -116.21 -31.06 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -36.3 -35.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m -68.16 -53.81 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 110.394 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.754 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -57.99 -56.91 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 35' ' ' SER . 40.2 m -47.16 -59.53 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -40.53 -39.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.17 -72.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.73 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -45.39 -60.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.536 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 10.7 p -43.21 -65.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.68 -23.13 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.562 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.1 mt-30 -38.62 -51.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -56.77 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -113.14 108.31 53.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 25.09 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 52' ' ' ASN . 7.6 mt-30 -130.31 5.77 4.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.01 155.87 41.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 6.4 p30 -163.41 102.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 57' ' ' LEU . 15.8 mt -119.11 -10.81 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.91 HG23 ' HB1' ' A' ' 31' ' ' ALA . 7.5 p -57.47 -59.78 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.596 ' H ' HG13 ' A' ' 58' ' ' VAL . 2.8 m-20 -48.79 -32.56 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.3 m -73.84 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.761 ' O ' HG11 ' A' ' 30' ' ' VAL . 6.0 mt -37.94 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.3 m-20 -84.85 51.47 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -176.42 106.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.45 138.75 10.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.3 mt-30 -58.82 104.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 11.5 m-30 -113.1 -173.27 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.966 HG23 ' HB ' ' A' ' 151' ' ' THR . 17.8 m -149.99 86.64 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.833 HG12 ' HB2' ' A' ' 70' ' ' ALA . 56.2 t -51.75 130.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.441 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 6.5 m-85 -119.94 69.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.85 ' HB1' HD22 ' A' ' 40' ' ' LEU . . . -94.59 128.15 41.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -139.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.754 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.01 110.59 3.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.802 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 155' ' ' ILE . 47.6 p -51.52 170.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -67.62 -17.92 64.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 -20.56 27.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.8 -47.0 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 36.9 m-85 -65.18 -38.2 89.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 m -56.09 -36.85 68.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.26 -54.16 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 83' ' ' THR . 6.1 mt -63.33 150.24 89.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.0 147.02 33.36 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.55 1.816 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.6 t -50.68 -48.5 58.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.623 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -57.9 -48.53 79.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.709 HG22 ' HD2' ' A' ' 88' ' ' LYS . 39.9 mm -62.41 -50.1 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -55.08 -19.79 8.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 4.5 tp10 -83.57 -45.55 13.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 87' ' ' LEU . 5.5 mt -64.89 -12.43 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.709 ' HD2' HG22 ' A' ' 84' ' ' ILE . 10.4 mtpt -92.93 30.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -164.78 -37.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.471 ' ND2' HD23 ' A' ' 87' ' ' LEU . 19.9 m-20 -56.95 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 95' ' ' THR . 9.6 p 168.77 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.88 13.55 30.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -136.47 -46.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.089 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -67.45 -38.82 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 99' ' ' THR . 3.5 t -54.11 -42.68 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.429 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -52.75 -38.1 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.569 HG22 HD23 ' A' ' 98' ' ' LEU . 1.8 mt -69.3 -60.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.089 HD21 HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -45.03 -62.07 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 102' ' ' VAL . 38.1 p -47.57 -50.69 23.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.5 t80 -61.62 -13.44 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.662 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 17.0 m-70 -96.29 23.41 6.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.568 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.596 HG13 HD23 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -160.91 118.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' A' ' 118' ' ' THR . 41.4 t -95.39 157.31 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.82 99.87 10.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.52 100.67 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.44 127.24 26.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.9 m -144.44 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.423 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 3.2 p -87.85 166.5 24.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.088 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -75.02 52.26 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.43 -47.07 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -102.57 -18.02 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.65 -20.31 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 127' ' ' THR . 66.5 t -70.38 137.54 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.91 -171.45 13.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -67.53 107.5 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.783 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -112.58 110.92 21.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.33 107.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.59 ' HA ' HG22 ' A' ' 103' ' ' VAL . 75.8 p -71.8 151.08 43.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -51.18 -28.56 11.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.476 ' O ' ' NE2' ' A' ' 120' ' ' GLN . 4.9 tp60 -56.69 -42.24 78.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 129.43 -11.69 6.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -91.28 -178.36 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.79 133.31 55.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 116' ' ' ARG . 14.6 p -107.48 106.05 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 125' ' ' THR . 4.4 m -67.08 75.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 124' ' ' VAL . 44.3 t -60.33 147.14 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.62 ' HA ' HG13 ' A' ' 113' ' ' VAL . 2.5 m -141.83 175.52 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.744 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . 134.77 162.3 9.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -136.81 -70.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -127.98 -98.81 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.23 45.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.37 94.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.744 HD23 ' HA3' ' A' ' 128' ' ' GLY . 5.3 mt -104.13 142.66 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -130.79 161.15 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 1.2 t -152.55 119.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 37.98 50.8 2.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 87.11 -45.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.619 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -48.84 171.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 0.4 OUTLIER -119.91 119.35 33.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 72.3 t -63.58 120.98 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.911 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -91.51 -53.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.627 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 5.2 t -153.2 108.87 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.81 -179.21 19.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.96 17.31 71.49 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.132 HG13 HG12 ' A' ' 22' ' ' VAL . 1.6 t -84.11 53.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.2 m -43.04 130.63 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.586 HG22 ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -99.52 -96.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.47 -75.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.8 OUTLIER -121.8 36.99 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.59 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -171.16 150.17 2.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.966 ' HB ' HG23 ' A' ' 67' ' ' THR . 94.0 m -89.01 176.52 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.562 ' H ' HG22 ' A' ' 151' ' ' THR . 1.1 t -139.24 131.5 36.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.506 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 75.3 m-85 -139.57 89.61 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.465 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -61.47 141.7 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.752 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -133.35 170.63 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.416 ' OD1' ' OD2' ' A' ' 139' ' ' ASP . 5.3 p-10 -111.99 41.02 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.99 139.89 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 158' ' ' VAL . 37.5 t -75.36 69.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.5 tp -31.28 129.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.693 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 30.0 mtt -126.76 150.59 71.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.429 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.02 139.4 24.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.93 127.37 10.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.936 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -76.1 169.0 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 1.6 mm? -94.64 176.48 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.486 HG11 ' CG ' ' A' ' 109' ' ' PRO . 2.1 p -119.32 144.39 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.39 146.79 18.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -164.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.2 Cg_endo -75.01 -66.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.737 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -35.87 -38.84 0.24 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.491 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -40.25 -30.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -84.93 -59.27 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.65 -43.99 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CZ ' ' OD1' ' A' ' 37' ' ' ASN . 83.2 t80 -63.17 -65.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -43.74 -52.53 6.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.86 -27.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -93.55 -39.84 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.7 m-80 -125.78 73.2 69.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' C ' HG23 ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.01 -9.43 20.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.482 HG23 ' C ' ' A' ' 16' ' ' PRO . 60.3 p -154.17 -167.63 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 80.21 -161.31 45.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.93 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -70.29 61.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . 66.4 m -137.43 162.42 33.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 145' ' ' VAL . 17.4 t -53.78 -39.12 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.62 -35.54 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.04 -12.29 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.836 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 6.7 ptp -100.45 -11.46 20.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 29.4 t -65.06 -50.89 64.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.75 -18.1 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.42 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 48.7 m-20 -94.67 142.91 25.37 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.01 100.04 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.833 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.4 p 30.2 -122.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.74 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.64 -72.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' SER . 93.0 t -29.62 -60.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.836 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -33.14 -66.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.818 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -48.32 -44.02 33.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.944 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -57.51 -22.1 42.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' ALA . 12.0 m120 -92.05 -33.94 14.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.65 ' O ' HG23 ' A' ' 41' ' ' THR . 0.5 OUTLIER -63.55 126.67 90.06 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.369 170.375 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.635 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 10.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.753 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.5 mt-10 -116.4 -18.26 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.066 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.82 -17.29 14.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -38.52 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.405 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' LEU . 91.2 m -73.33 -53.04 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.815 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.62 -54.89 41.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.944 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -50.16 -53.67 26.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.368 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.99 -39.53 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.58 -72.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.815 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -44.33 -61.52 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.525 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 91.0 p -44.32 -70.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 153.35 -19.45 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -50.27 -20.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.87 -44.74 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.741 ' OD1' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -109.81 98.06 31.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.03 14.33 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.4 mt-30 -128.33 6.65 5.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.944 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -125.9 -179.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.509 ' N ' HG23 ' A' ' 55' ' ' VAL . 5.0 p30 169.77 79.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -94.28 -32.33 13.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 t -27.11 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 58' ' ' VAL . 11.5 t70 -40.45 -56.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 57' ' ' LEU . 51.9 m -58.24 -58.82 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.833 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.06 -34.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -98.34 57.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 m -124.24 -92.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.88 178.26 36.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.0 OUTLIER -63.35 108.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 13.6 m-30 -113.98 -168.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.95 HG23 ' HB ' ' A' ' 151' ' ' THR . 87.8 m -152.51 88.21 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.917 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.3 t -50.71 141.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 8.3 m-85 -135.12 69.0 1.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.917 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -107.09 127.27 28.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -135.478 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.749 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.96 109.1 2.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.59 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 30.4 p -58.1 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.63 7.24 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.19 0.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB1' ' C ' ' A' ' 157' ' ' SER . . . -101.35 -49.24 4.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.749 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 66.3 m-85 -69.94 -24.36 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -18.24 62.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -74.89 -61.9 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.555 HD11 ' HB ' ' A' ' 158' ' ' VAL . 52.6 mt -47.82 151.84 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.28 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -50.6 -55.61 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.1 t -38.64 -56.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -48.54 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.606 HG22 ' CE ' ' A' ' 88' ' ' LYS . 27.5 mm -60.69 -54.83 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -20.34 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.26 -45.36 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.72 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.3 mt -57.92 -17.34 16.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.606 ' CE ' HG22 ' A' ' 84' ' ' ILE . 7.4 mtmt -88.73 7.74 32.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.6 t -164.32 45.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 91' ' ' SER . 93.7 m-20 -120.71 -93.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 3.0 t 89.31 -26.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 24.92 12.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.57 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.944 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.75 -50.6 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -45.11 -39.98 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.535 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.38 -46.11 80.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -61.93 -50.82 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 94' ' ' LEU . 2.0 mt -50.78 -62.89 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.761 HG22 ' CD2' ' A' ' 119' ' ' LEU . 15.1 p -50.03 -44.55 51.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 160' ' ' MET . 6.8 t80 -64.51 -14.66 58.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.653 ' CD2' HG23 ' A' ' 97' ' ' ILE . 36.3 m-70 -92.82 15.98 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 0.5 OUTLIER -154.23 126.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 117' ' ' GLN . 44.5 t -105.28 144.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.14 107.8 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 121.54 110.63 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' CD ' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -66.61 137.19 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.7 m -157.21 134.18 10.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 p -65.78 165.59 19.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.486 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 52.03 2.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -128.82 -44.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -102.32 -28.97 11.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.541 HG13 HG11 ' A' ' 126' ' ' VAL . 0.4 OUTLIER -48.81 -24.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.509 HG23 ' HA ' ' A' ' 127' ' ' THR . 12.5 p -57.51 153.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 76.77 -165.83 53.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.2 m -61.63 135.41 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.769 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.7 tpm_? -149.74 123.47 9.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.853 ' O ' HG13 ' A' ' 103' ' ' VAL . 28.9 tt0 -58.11 137.92 56.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.694 ' HA ' HG22 ' A' ' 103' ' ' VAL . 22.4 p -110.69 174.19 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.761 ' CD2' HG22 ' A' ' 99' ' ' THR . 4.8 tt -61.7 -49.54 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.484 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 17.9 tp60 -48.51 -20.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 102.19 -10.11 56.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -81.61 -169.21 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.98 136.75 53.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.5 p -106.97 127.6 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 125' ' ' THR . 3.2 m -87.58 76.16 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.7 HG13 ' CG2' ' A' ' 135' ' ' VAL . 20.0 t -67.67 163.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.509 ' HA ' HG23 ' A' ' 113' ' ' VAL . 3.8 m -155.3 170.66 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.443 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -166.45 135.56 3.74 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -133.61 -166.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -39.24 -38.73 0.92 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 132' ' ' SER . 10.9 m120 -169.29 139.49 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.6 t 84.59 91.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.425 HD13 ' CG2' ' A' ' 4' ' ' VAL . 10.1 mp -72.1 170.53 13.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 135' ' ' VAL . 1.4 mttt -132.15 156.28 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.7 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -155.33 125.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.79 39.03 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.5 t-20 89.74 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.893 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -55.03 177.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 9.5 m-20 -120.45 121.78 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.49 106.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.737 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.2 t -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.483 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 19.3 t -155.23 108.91 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.513 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -114.28 167.63 12.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.68 21.95 67.85 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.009 HG13 HG13 ' A' ' 22' ' ' VAL . 11.3 t -93.68 53.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 50.8 m -40.16 116.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.773 HG22 ' HG3' ' A' ' 25' ' ' MET . 2.6 p -83.85 -103.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -100.71 -78.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -123.52 45.16 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.88 135.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.95 ' HB ' HG23 ' A' ' 67' ' ' THR . 65.5 m -68.06 172.66 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.51 ' N ' HG22 ' A' ' 151' ' ' THR . 1.8 t -135.31 126.93 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.689 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 78.7 m-85 -135.78 81.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.59 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 15.7 mtm -60.42 145.88 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.607 ' CA ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -135.9 -179.57 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -114.31 17.85 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.893 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 2.9 m -140.68 141.61 34.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 159' ' ' LEU . 98.8 t -74.76 14.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.633 ' O ' ' O ' ' A' ' 158' ' ' VAL . 64.3 mt 38.05 -169.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.618 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER 173.19 139.93 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.535 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 142.97 28.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.1 Cg_endo -75.01 68.08 5.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 178.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 22' ' ' VAL . 1.2 mt -58.24 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.517 HG22 ' H ' ' A' ' 5' ' ' GLY . 3.9 p -114.76 172.58 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 83.38 156.07 21.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -66.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.609 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.01 -36.44 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -44.58 -28.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -75.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 2.6 tt0 -44.83 -51.39 9.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ALA . 61.0 t80 -38.27 -66.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -41.76 -55.68 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -41.73 -39.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.14 -46.85 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -127.12 80.07 72.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.02 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.7 p -121.86 147.44 45.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 -161.25 24.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -42.57 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -80.81 54.59 2.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -134.12 170.84 15.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.008 HG13 HG13 ' A' ' 145' ' ' VAL . 59.0 t -65.55 -36.97 78.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -86.01 -39.89 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.26 -41.57 54.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.635 ' CG ' HG22 ' A' ' 147' ' ' THR . 15.0 ptp -76.71 -20.51 56.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 147' ' ' THR . 0.9 OUTLIER -72.65 -12.11 60.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.34 17.48 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.744 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -152.0 169.48 9.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 137.8 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.669 ' CG1' ' HB3' ' A' ' 150' ' ' ALA . 2.0 m -20.93 -53.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' HG22 ' A' ' 30' ' ' VAL . . . -43.82 -88.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' HA ' ' CB ' ' A' ' 35' ' ' SER . 59.8 t -45.86 -35.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.699 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -49.17 -28.07 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -100.64 -24.87 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 10.3 t -63.62 -11.56 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -91.47 -42.74 10.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 41' ' ' THR . 0.5 OUTLIER -64.55 134.19 95.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -170.691 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.871 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.98 4.96 4.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -121.55 -4.71 9.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD22 ' HB1' ' A' ' 70' ' ' ALA . 29.0 mt -115.64 -32.57 5.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.3 p -36.07 -36.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -67.96 -53.78 23.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.92 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.23 -51.97 67.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.712 ' HA ' HD11 ' A' ' 47' ' ' LEU . 47.9 m -48.2 -49.82 31.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -48.34 -37.3 16.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.32 -70.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.91 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.34 -61.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.695 ' HA ' HG23 ' A' ' 58' ' ' VAL . 63.7 p -44.66 -68.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 154.69 -22.12 0.62 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.543 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.5 mt-30 -38.57 -40.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -56.51 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.548 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -113.65 113.78 47.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 10.61 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -119.33 8.93 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.14 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 2.3 p30 -169.53 102.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.713 HD21 HG22 ' A' ' 99' ' ' THR . 0.2 OUTLIER -110.18 -27.52 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.695 HG23 ' HA ' ' A' ' 48' ' ' SER . 20.3 t -31.76 -62.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.74 -54.87 3.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 16.3 m -62.84 -64.23 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.758 HD12 HD13 ' A' ' 47' ' ' LEU . 6.5 mt -32.89 -39.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 t30 -94.28 58.36 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.6 m -125.62 -92.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.11 171.55 24.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.9 OUTLIER -55.12 106.85 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 9.1 m-30 -111.69 -178.88 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.777 HG23 ' HB ' ' A' ' 151' ' ' THR . 11.8 m -145.61 86.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.835 HG12 ' HB2' ' A' ' 70' ' ' ALA . 11.0 t -53.36 132.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.458 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 7.4 m-85 -120.33 68.26 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.835 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.84 127.38 43.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -137.84 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.92 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.08 112.97 3.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 155' ' ' ILE . 39.6 p -52.07 169.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -22.37 66.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.03 -16.84 39.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . . . -74.87 -45.27 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.725 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 47.7 m-85 -68.94 -40.0 79.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.4 OUTLIER -51.25 -51.98 49.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.039 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 1.4 mtmm -38.67 -57.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.6 mt -47.29 149.4 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 138.55 23.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -40.2 -48.57 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 m -45.54 -47.46 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.59 -49.58 74.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.9 -57.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -49.54 -24.51 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 89' ' ' THR . 8.1 tp10 -77.98 -45.25 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.0 mt -64.0 -10.96 24.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -91.53 28.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 86' ' ' GLU . 14.6 t -163.15 -35.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.506 ' ND2' HD23 ' A' ' 87' ' ' LEU . 2.4 m-20 -65.1 164.85 12.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.4 p -155.14 22.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.13 -47.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -78.64 -29.69 45.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.026 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -83.07 -43.35 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -51.1 -46.9 61.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -51.75 -41.59 61.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.656 HG22 HD23 ' A' ' 98' ' ' LEU . 1.9 mt -63.14 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.026 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -47.81 -59.08 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.713 HG22 HD21 ' A' ' 57' ' ' LEU . 18.4 p -52.75 -49.22 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 160' ' ' MET . 43.1 t80 -61.04 -16.88 48.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.655 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 13.9 m-70 -91.62 23.07 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 99' ' ' THR . 0.3 OUTLIER -157.48 124.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 118' ' ' THR . 53.5 t -105.75 138.18 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.25 104.48 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 133.73 113.23 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -71.7 140.42 49.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 108' ' ' SER . 23.3 m -156.97 171.98 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -103.1 164.76 14.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.425 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.96 51.38 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.79 -46.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 113' ' ' VAL . 65.8 m-20 -99.57 -30.23 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.738 HG13 HG11 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -43.96 -28.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 126' ' ' VAL . 9.4 p -55.48 161.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.39 -170.36 52.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 47.3 m -66.1 131.95 47.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.354 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.836 ' CD ' HG11 ' A' ' 103' ' ' VAL . 5.3 tpp180 -138.76 117.72 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 103' ' ' VAL . 33.3 tt0 -68.73 115.6 8.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.866 ' HA ' HG22 ' A' ' 103' ' ' VAL . 30.7 p -73.7 164.47 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.02 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -65.1 -25.47 67.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 1.02 ' N ' HD23 ' A' ' 119' ' ' LEU . 28.8 tp60 -66.0 -21.83 66.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.78 6.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -69.58 -172.85 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -124.32 147.5 48.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.798 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.4 p -120.97 117.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.5 m -74.1 80.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.738 HG11 HG13 ' A' ' 112' ' ' VAL . 26.0 t -67.96 146.89 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 128' ' ' GLY . 4.7 m -141.43 176.28 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.758 ' HA3' HD23 ' A' ' 133' ' ' LEU . . . 171.16 154.25 9.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 132' ' ' SER . 16.4 pt20 -131.52 -48.53 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 173.84 -86.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -88.48 43.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 1.3 p 169.02 95.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.758 HD23 ' HA3' ' A' ' 128' ' ' GLY . 10.4 mt -82.44 157.8 23.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.501 ' CE ' ' OD1' ' A' ' 139' ' ' ASP . 32.2 mttt -136.63 159.08 42.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.702 ' CG2' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -154.08 121.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 36.09 53.31 1.23 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.2 t30 86.57 -46.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -46.79 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.501 ' OD1' ' CE ' ' A' ' 134' ' ' LYS . 26.1 m-20 -123.55 110.4 15.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.626 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 54.6 t -55.67 110.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.711 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -80.77 -50.63 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.401 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 34.2 t -153.79 104.32 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.288 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.82 174.33 16.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 75.35 18.07 80.04 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.008 HG13 HG13 ' A' ' 22' ' ' VAL . 2.4 t -87.0 64.87 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.8 m -51.08 124.71 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.699 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 1.8 p -89.89 -108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -108.24 -63.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.479 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -126.75 38.97 4.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.669 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -176.15 167.89 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.777 ' HB ' HG23 ' A' ' 67' ' ' THR . 33.1 m -104.11 179.92 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.676 ' H ' HG22 ' A' ' 151' ' ' THR . 0.9 OUTLIER -143.53 128.84 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.521 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 80.4 m-85 -137.62 86.91 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -59.51 145.14 45.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pt -138.22 170.8 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -112.06 46.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.62 143.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 158' ' ' VAL . 32.0 t -78.6 69.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.691 HD21 ' CG2' ' A' ' 124' ' ' VAL . 1.1 tp -32.03 129.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.694 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 12.0 mtt -123.24 148.47 55.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.424 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.1 127.4 10.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.97 60.79 5.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -124.38 62.45 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mp -96.72 -172.08 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.7 m -130.95 136.74 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.66 155.88 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 177.535 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.571 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -47.19 -36.98 10.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -29.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -67.5 -75.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -52.94 -52.35 58.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -38.97 -54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.14 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -36.65 73.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' GLU . . . -79.69 -44.41 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -123.14 76.44 51.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -59.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 p -115.6 155.11 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . 124.9 -166.62 17.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.65 10.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.849 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -89.23 42.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 78.2 p -119.17 172.87 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.861 HG22 HG13 ' A' ' 145' ' ' VAL . 61.3 t -68.02 -39.84 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.21 -36.68 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 18' ' ' GLY . . . -60.97 -38.55 95.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.762 ' HG3' HG22 ' A' ' 147' ' ' THR . 15.2 ptp -77.78 -14.34 59.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 27' ' ' GLN . 3.6 p -61.98 -64.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.483 ' N ' ' OG ' ' A' ' 26' ' ' SER . 3.9 mt-30 -37.85 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 37.2 m-20 -85.43 142.34 37.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.1 Cg_endo -74.95 101.84 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.487 1.782 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.826 ' HB ' ' HB3' ' A' ' 150' ' ' ALA . 2.4 p 29.7 -104.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.754 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -19.85 -83.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 46.3 t -28.36 -54.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -41.67 -61.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -52.64 -26.38 13.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.589 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER -80.04 44.16 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 35' ' ' SER . 26.7 m-80 -161.4 -40.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' THR . 2.3 m-20 -53.89 136.15 56.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 175.633 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.96 6.15 3.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.477 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.8 mm-40 -128.25 2.75 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.696 HD21 ' HG3' ' A' ' 154' ' ' MET . 43.6 mt -121.67 -32.93 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.2 p -35.5 -41.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -62.72 -54.46 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.936 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.33 -43.23 96.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.66 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -48.61 -60.9 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -39.17 -35.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -67.75 -72.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.766 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -44.4 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.484 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 2.8 p -41.55 -68.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.22 -17.57 1.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -19.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 0.726 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -39.22 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.74 ' CB ' HG13 ' A' ' 55' ' ' VAL . 1.8 m-80 -128.83 105.45 18.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.67 8.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -108.84 -2.92 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.028 HG11 HD21 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -117.74 176.33 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.2 p30 174.51 99.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD11 HG22 ' A' ' 99' ' ' THR . 4.1 mm? -98.25 -51.43 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.791 HG22 ' N ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -14.53 -79.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.791 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -36.93 -59.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 57' ' ' LEU . 36.0 m -51.89 -44.73 63.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -60.72 -32.69 71.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.35 32.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.7 m -90.27 -93.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.642 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -121.22 -175.28 15.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.6 OUTLIER -47.02 106.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.231 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 5.0 m-30 -114.96 -176.48 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.878 HG23 ' HB ' ' A' ' 151' ' ' THR . 13.5 m -156.14 90.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.862 HG12 ' HB2' ' A' ' 70' ' ' ALA . 6.3 t -53.73 139.55 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.6 m-85 -128.62 64.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.862 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.13 133.4 26.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -135.579 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.936 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.0 111.12 3.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.46 1.769 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 24.8 p -58.98 179.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -62.21 -28.02 69.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -15.69 50.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.763 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -75.44 -42.44 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.754 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 54.7 m-85 -79.88 -35.01 38.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -61.02 -32.56 72.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -51.97 -54.98 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.73 151.72 71.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' O ' ' HB ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 147.39 33.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.33 -54.99 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -39.02 -50.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.94 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.21 -51.72 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.402 HG22 ' CE ' ' A' ' 88' ' ' LYS . 41.3 mm -58.39 -56.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.36 -22.83 2.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 89' ' ' THR . 1.5 tp10 -81.26 -49.97 10.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.668 ' HB3' HD13 ' A' ' 94' ' ' LEU . 5.6 mt -51.91 -42.49 62.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' CE ' HG22 ' A' ' 84' ' ' ILE . 1.9 mtmp? -67.43 -3.08 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 86' ' ' GLU . 1.1 t -132.04 11.37 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.527 ' ND2' HD23 ' A' ' 87' ' ' LEU . 38.4 m-20 -109.5 -160.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.6 t 169.74 -28.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.5 p -105.81 25.65 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.84 -45.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.028 HD21 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -73.43 -52.61 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 99' ' ' THR . 1.2 m -39.28 -45.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.533 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -52.71 -45.42 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.607 HG22 HD23 ' A' ' 98' ' ' LEU . 1.5 mt -60.82 -58.02 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 97' ' ' ILE . 1.1 mt -47.42 -58.45 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.679 HG22 HD11 ' A' ' 57' ' ' LEU . 1.8 p -52.28 -46.46 65.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 160' ' ' MET . 10.4 t80 -62.67 -15.81 54.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.707 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 18.6 m-70 -92.25 20.7 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.641 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -155.07 130.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.811 HG22 ' HA ' ' A' ' 118' ' ' THR . 4.1 t -105.2 162.66 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -121.71 101.93 7.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 106' ' ' GLN . . . 160.77 -48.05 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.642 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 79.59 127.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 6.0 m -162.08 125.28 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 p -50.18 166.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.437 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.5 Cg_endo -74.97 48.67 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.28 -44.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 21.9 m-20 -98.77 -27.54 13.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 126' ' ' VAL . 2.5 p -52.54 -20.37 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.549 HG23 ' HA ' ' A' ' 127' ' ' THR . 9.8 p -68.07 150.69 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 103.28 -102.58 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.8 m -135.57 116.05 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.883 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -108.17 127.91 54.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -78.68 101.73 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.811 ' HA ' HG22 ' A' ' 103' ' ' VAL . 7.3 p -61.56 155.79 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.067 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -61.3 -24.82 66.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 1.067 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.33 -27.2 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.93 -23.81 9.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.531 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -76.31 -178.34 4.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.4 p -112.48 153.53 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.052 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.2 p -128.56 103.31 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.8 m -63.39 103.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.66 HG13 ' CG2' ' A' ' 135' ' ' VAL . 25.1 t -96.43 157.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.549 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.94 166.72 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.444 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -175.41 150.46 10.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 131' ' ' ASN . 17.3 pt20 -179.34 122.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 59.6 -82.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 129' ' ' GLN . 18.2 m120 -146.58 153.93 40.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.31 89.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.447 ' HB3' HG21 ' A' ' 140' ' ' VAL . 7.7 mp -78.2 172.88 12.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 138' ' ' ALA . 9.2 mttt -137.78 155.5 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.66 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.5 t -151.97 119.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 45.05 44.43 9.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 6.9 t30 86.89 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.757 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -58.39 174.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.459 ' N ' ' OD2' ' A' ' 156' ' ' ASP . 14.3 m-20 -121.13 112.98 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 133' ' ' LEU . 72.9 t -57.27 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.571 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.2 t -61.52 -61.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 36.1 t -145.59 105.47 4.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -115.01 167.18 12.26 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.115 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.86 16.07 68.72 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.861 HG13 HG22 ' A' ' 22' ' ' VAL . 1.5 t -88.37 57.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 26.1 m -47.41 127.23 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 25' ' ' MET . 3.2 p -92.75 -106.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . . . -91.85 -72.61 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -130.11 25.38 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.826 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -150.34 144.55 25.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.878 ' HB ' HG23 ' A' ' 67' ' ' THR . 23.9 m -81.61 172.87 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.475 ' H ' HG22 ' A' ' 151' ' ' THR . 1.7 t -138.54 125.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.63 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.2 m-85 -135.3 87.1 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.696 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -65.58 120.62 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.757 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.2 pp -113.38 178.67 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 139' ' ' ASP . 11.3 p-10 -118.97 52.27 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.1 m -176.56 125.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 75' ' ' ALA . 22.0 t -70.02 70.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.602 HD11 ' CG1' ' A' ' 135' ' ' VAL . 62.5 mt -29.15 145.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.596 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -130.29 143.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.533 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 135.23 18.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -74.99 3.27 5.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.47 160.32 36.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 22' ' ' VAL . 2.4 mm? -84.54 -171.02 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.733 HG21 ' CB ' ' A' ' 109' ' ' PRO . 32.9 m -133.08 141.91 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.13 153.26 10.05 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -62.98 -39.97 98.73 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.76 -34.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -70.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.8 tm-20 -45.83 -50.46 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' ALA . 59.7 t80 -43.46 -65.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.7 -47.88 7.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -49.89 -39.21 38.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.06 -47.54 14.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -122.63 77.48 47.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -74.98 -25.35 11.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.3 p -132.2 -168.16 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.62 179.21 51.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.42 1.075 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.69 20.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.841 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -82.05 6.17 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 24' ' ' GLY . 90.4 p -86.6 169.04 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 145' ' ' VAL . 55.7 t -63.92 -37.33 79.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -31.91 16.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -62.06 -28.24 70.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.522 ' SD ' HG12 ' A' ' 145' ' ' VAL . 21.2 ptp -88.43 -9.74 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 147' ' ' THR . 43.2 m -76.89 -26.25 53.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.6 -26.03 64.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -108.31 169.13 6.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' CB ' ' OD1' ' A' ' 62' ' ' ASN . 18.3 Cg_endo -75.03 161.15 39.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.62 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 9.8 p -36.13 -34.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 32' ' ' VAL . . . -65.53 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 31' ' ' ALA . 16.0 t -33.19 -48.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 147' ' ' THR . . . -37.03 -54.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -74.47 -39.56 62.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.567 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.8 t -47.54 -25.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.79 -46.76 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.857 ' O ' HG23 ' A' ' 41' ' ' THR . 4.0 t-20 -54.1 130.55 59.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -171.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.04 1.61 7.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 2.0 mm-40 -116.95 -7.78 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 154' ' ' MET . 59.8 mt -107.08 -28.08 10.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.9 p -36.83 -32.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.475 HG22 ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -69.05 -55.88 9.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.927 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -63.01 -52.36 63.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.737 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.5 m -46.93 -52.48 14.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -46.7 -36.12 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.9 -69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.796 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.79 -62.08 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.85 ' HA ' HG23 ' A' ' 58' ' ' VAL . 97.3 p -44.41 -61.06 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ASN . . . 144.63 -22.96 2.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.542 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 4.7 mt-30 -38.78 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 -48.14 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -132.04 127.19 20.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 5.09 4.17 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.43 3.24 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG21 ' CD2' ' A' ' 94' ' ' LEU . 2.6 t -123.45 140.5 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 6.0 p30 -162.87 105.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB3' HD22 ' A' ' 61' ' ' LEU . 13.9 mt -109.87 -20.85 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.85 HG23 ' HA ' ' A' ' 48' ' ' SER . 19.6 t -38.4 -33.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.2 t70 -77.46 -54.27 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' LEU . 92.5 m -58.99 -61.79 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -39.94 -37.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 29' ' ' PRO . 1.8 m-80 -85.2 48.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB2' ' OH ' ' A' ' 66' ' ' TYR . 2.6 m -106.09 -94.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -116.52 178.6 17.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 0.7 OUTLIER -50.12 108.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 8.4 m-30 -111.97 -170.17 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.985 HG23 ' HB ' ' A' ' 151' ' ' THR . 41.6 m -152.49 86.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.984 HG12 ' HB2' ' A' ' 70' ' ' ALA . 35.2 t -52.54 135.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.736 ' CD2' HG23 ' A' ' 103' ' ' VAL . 16.9 m-85 -126.54 72.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.984 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -107.06 125.48 32.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 -136.303 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.927 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.94 118.53 5.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.815 HG22 ' SD ' ' A' ' 154' ' ' MET . 4.0 p -59.26 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.14 10.33 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.6 -9.34 11.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -82.03 -55.82 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.863 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 63.8 m-85 -64.84 -32.0 73.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -58.49 -38.53 77.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 24.3 mtpt -51.71 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.73 ' H ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -37.47 154.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.51 23.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.13 -51.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -47.39 84.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.79 -57.08 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.54 -23.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 89' ' ' THR . 1.1 tp10 -81.54 -47.92 12.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 52' ' ' ASN . 6.4 mt -53.56 -22.66 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 12.5 mttt -88.7 23.4 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 86' ' ' GLU . 10.2 t -168.39 34.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' A' ' 93' ' ' LEU . 79.0 m-20 -122.53 -41.78 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER 39.39 29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 90' ' ' ASN . 1.8 m -149.71 -53.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.685 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -81.12 -17.5 49.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -89.56 -38.57 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 99' ' ' THR . 1.8 m -54.73 -43.98 73.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.517 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 0.3 OUTLIER -56.1 -37.78 69.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -64.33 -55.26 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -46.9 -65.63 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 95' ' ' THR . 67.6 p -43.2 -52.28 5.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CE2' ' O ' ' A' ' 160' ' ' MET . 5.4 t80 -58.45 -18.14 26.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.642 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 53.5 m-70 -93.98 23.71 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -164.19 115.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 117' ' ' GLN . 15.7 t -102.72 146.47 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.86 113.36 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.485 ' O ' ' NH1' ' A' ' 116' ' ' ARG . . . 124.63 97.65 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.447 HE21 ' N ' ' A' ' 150' ' ' ALA . 0.0 OUTLIER -58.96 131.84 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.435 ' HB ' HG13 ' A' ' 112' ' ' VAL . 38.6 m -145.69 134.34 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.583 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 1.6 p -67.66 163.17 51.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.733 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -75.03 46.08 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.31 18.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 113' ' ' VAL . 23.5 m-80 -151.72 -50.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -30.28 -40.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.905 HG23 ' HA ' ' A' ' 127' ' ' THR . 3.2 p -40.34 138.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.49 -171.74 17.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.657 HG23 ' HB3' ' A' ' 123' ' ' SER . 1.2 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.786 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.732 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -111.22 113.77 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.817 ' O ' HG13 ' A' ' 103' ' ' VAL . 32.0 tt0 -69.5 103.62 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.609 ' HA ' HG13 ' A' ' 103' ' ' VAL . 4.7 p -80.94 173.33 12.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.463 ' C ' ' N ' ' A' ' 121' ' ' GLY . 17.5 mt -55.77 -57.83 10.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -40.0 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.463 ' N ' ' C ' ' A' ' 119' ' ' LEU . . . 106.39 -18.77 38.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 118' ' ' THR . . . -76.03 142.27 41.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 115' ' ' THR . 1.1 m -84.68 128.51 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 116' ' ' ARG . 7.3 p -100.98 99.69 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 27.8 m -65.04 77.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 124' ' ' VAL . 40.2 t -63.99 165.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.905 ' HA ' HG23 ' A' ' 113' ' ' VAL . 17.3 m -155.77 173.62 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.483 ' H ' HG22 ' A' ' 127' ' ' THR . . . -152.78 129.34 2.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.69 -174.36 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.05 108.48 2.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.5 m120 46.81 57.01 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.52 106.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.38 163.52 12.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.521 ' CE ' ' O ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -130.06 154.5 47.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.026 HG12 HD21 ' A' ' 159' ' ' LEU . 2.0 t -141.29 103.44 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 65.17 -58.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.521 ' O ' ' CE ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -156.31 -39.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -59.85 170.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' C ' HG22 ' A' ' 155' ' ' ILE . 21.8 m-20 -114.54 122.29 46.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.1 136.33 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 154' ' ' MET . 3.1 t -114.55 -56.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 16.2 t -144.28 96.74 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.336 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.494 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -109.32 163.28 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.72 18.5 58.23 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.906 HG13 HG13 ' A' ' 22' ' ' VAL . 1.5 t -89.1 52.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 61.5 m -47.2 126.94 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.534 HG22 ' HB1' ' A' ' 33' ' ' ALA . 2.9 p -84.95 -111.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -102.13 -38.55 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -158.98 47.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -178.45 132.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.985 ' HB ' HG23 ' A' ' 67' ' ' THR . 17.3 m -71.35 172.34 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 145' ' ' VAL . 1.4 t -143.5 125.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.577 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 96.8 m-85 -133.25 94.66 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.815 ' SD ' HG22 ' A' ' 72' ' ' THR . 15.3 mtm -70.71 115.81 10.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 1.022 HD13 ' O ' ' A' ' 157' ' ' SER . 1.2 pp -109.56 168.07 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.487 ' O ' ' OG ' ' A' ' 157' ' ' SER . 7.0 p-10 -100.15 44.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 1.022 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -174.67 140.62 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.858 HG23 ' HG2' ' A' ' 160' ' ' MET . 0.8 OUTLIER -76.54 32.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.026 HD21 HG12 ' A' ' 135' ' ' VAL . 35.4 mt 36.73 -92.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.858 ' HG2' HG23 ' A' ' 158' ' ' VAL . 4.9 mtp 92.53 137.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.99 138.96 23.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 161' ' ' PRO . 18.5 Cg_endo -74.98 78.89 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.051 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.949 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' C ' HD22 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -87.44 84.38 7.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 0.781 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD22 ' C ' ' A' ' 1' ' ' GLY . 2.7 mm? -114.45 -178.99 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 143' ' ' GLY . 26.4 m -124.66 134.62 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 141' ' ' VAL . . . 111.85 152.3 11.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -175.033 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.93 -67.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.696 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -36.47 -35.49 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.54 -30.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.309 -0.996 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -86.0 -66.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.774 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 22.1 mt-10 -45.22 -49.69 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' OH ' ' ND2' ' A' ' 37' ' ' ASN . 79.3 t80 -53.11 -65.57 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.66 -39.67 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.42 -30.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 -33.31 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.717 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 16.7 m-80 -123.57 79.28 55.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -62.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.3 p -114.92 -15.97 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -45.41 177.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.63 21.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB3' ' OD1' ' A' ' 15' ' ' ASN . . . -104.91 32.45 4.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.7 p -107.68 173.33 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 145' ' ' VAL . 43.2 t -56.61 -48.32 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 26' ' ' SER . 54.2 tt0 -82.39 -47.41 12.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.92 -47.14 25.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.785 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.5 ptp -68.66 -17.4 64.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 3.6 t -64.68 -40.84 96.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -66.26 -10.87 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.536 ' CG ' HG12 ' A' ' 32' ' ' VAL . 66.1 m-20 -100.67 146.4 32.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.566 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.02 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.798 HG13 ' H ' ' A' ' 31' ' ' ALA . 9.7 p 29.92 -119.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.798 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -10.14 -71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' A' ' 35' ' ' SER . 78.5 t -30.6 -62.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.785 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -30.81 -75.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.804 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -50.62 -37.38 39.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.946 ' HB3' HG21 ' A' ' 44' ' ' THR . 0.7 OUTLIER -59.18 -15.64 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.17 -18.94 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.966 ' O ' HG23 ' A' ' 41' ' ' THR . 2.7 m120 -61.0 128.34 89.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 169.586 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.689 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -75.0 7.67 2.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.678 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -121.61 -18.92 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.034 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -103.92 -14.51 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.966 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -41.72 -31.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -72.25 -49.35 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.87 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -58.04 -57.92 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.946 HG21 ' HB3' ' A' ' 35' ' ' SER . 1.1 m -48.25 -63.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -36.62 -37.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.78 -70.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.869 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -49.87 -60.11 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.533 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -43.05 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 154.83 -22.81 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.422 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 2.3 mt-30 -43.14 -26.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' HG ' ' CD ' ' A' ' 88' ' ' LYS . 1.7 tp -92.01 -40.51 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -139.32 121.19 10.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 8.95 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -116.34 9.91 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.861 HG21 ' CD2' ' A' ' 94' ' ' LEU . 1.5 t -130.35 151.71 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 48' ' ' SER . 3.1 p30 -169.56 109.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' THR . 16.6 mt -126.95 -38.32 2.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.732 HG23 ' HB1' ' A' ' 31' ' ' ALA . 7.4 p -31.41 -59.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -45.07 -52.62 8.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 m -60.65 -58.72 7.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.737 ' O ' HG11 ' A' ' 30' ' ' VAL . 5.1 mt -35.61 -34.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 60' ' ' THR . 34.3 t30 -88.33 53.3 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.29 110.0 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 87.87 138.16 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.4 mp0 -52.23 104.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 6.5 m-30 -109.22 -174.85 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 151' ' ' THR . 35.7 m -149.32 90.71 1.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.917 HG12 ' HB2' ' A' ' 70' ' ' ALA . 4.8 t -54.51 142.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.48 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 11.0 m-85 -133.21 59.64 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.917 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.78 129.03 29.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -136.471 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.87 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.99 108.43 2.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.558 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 71.6 p -56.04 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -87.18 -8.59 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.595 ' N ' HD22 ' A' ' 73' ' ' ASN . . . -106.32 21.69 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 158' ' ' VAL . . . -118.07 -36.96 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.825 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 41.4 m-85 -86.52 -24.7 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.8 m -71.56 -7.5 48.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 74' ' ' ALA . 3.4 mtmm -81.27 -10.83 59.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD11 HG21 ' A' ' 158' ' ' VAL . 2.4 mt -110.69 155.94 41.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.23 42.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.83 -38.25 61.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.37 -49.4 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -49.34 77.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.43 -39.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.44 -30.35 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 89' ' ' THR . 0.5 OUTLIER -72.15 -39.33 68.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.588 ' HB3' HD13 ' A' ' 94' ' ' LEU . 6.1 mt -62.26 -35.37 78.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 15.7 mttt -73.33 1.85 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 86' ' ' GLU . 12.0 t -144.7 36.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 91' ' ' SER . 96.6 m-20 -119.05 -85.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.8 t 83.56 -3.34 1.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.8 p -125.55 -41.44 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -90.13 -25.33 20.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.861 ' CD2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -81.42 -57.18 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 t -41.87 -41.0 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.549 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 0.7 OUTLIER -56.94 -49.66 74.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.414 HG22 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -59.5 -51.68 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD21 HD12 ' A' ' 94' ' ' LEU . 1.6 mt -51.54 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 120' ' ' GLN . 22.6 p -49.44 -45.68 46.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.656 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.4 t80 -59.42 -25.21 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.734 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 20.8 m-70 -85.22 16.31 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.457 HG11 HD22 ' A' ' 61' ' ' LEU . 2.2 t -148.85 147.31 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.897 HG22 ' HA ' ' A' ' 118' ' ' THR . 30.0 t -129.99 141.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.582 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . . . -91.97 99.94 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.36 90.05 0.28 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.25 140.54 7.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.8 m -159.8 129.04 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.442 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 p -60.27 165.0 5.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 49.36 2.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.84 -46.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -96.84 -25.9 15.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.744 HG13 HG11 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -50.66 -26.96 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.522 ' HA ' HG12 ' A' ' 126' ' ' VAL . 10.2 p -58.9 154.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.55 -167.29 44.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 123' ' ' SER . 25.1 m -67.95 122.37 18.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.779 HH21 ' HB3' ' A' ' 117' ' ' GLN . 4.9 tpm_? -130.43 133.41 46.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.869 ' O ' HG13 ' A' ' 103' ' ' VAL . 40.4 tt0 -73.67 128.12 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.897 ' HA ' HG22 ' A' ' 103' ' ' VAL . 68.5 p -103.22 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.582 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 14.2 mt -59.59 -49.08 79.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.494 ' HB2' ' OG1' ' A' ' 99' ' ' THR . 22.3 tp60 -49.95 -20.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.71 -30.24 10.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.81 175.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 0.809 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.438 ' HB2' ' CG2' ' A' ' 115' ' ' THR . 0.3 OUTLIER -113.46 138.68 49.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.2 p -106.02 121.75 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.3 m -73.72 72.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.744 HG11 HG13 ' A' ' 112' ' ' VAL . 27.7 t -60.76 149.28 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 128' ' ' GLY . 7.4 m -148.1 176.07 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.73 ' HA2' HD23 ' A' ' 133' ' ' LEU . . . -156.83 118.72 0.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.54 -155.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 38.04 -124.58 1.38 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -39.5 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.97 -44.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.73 HD23 ' HA2' ' A' ' 128' ' ' GLY . 9.4 mt -154.99 161.17 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 127' ' ' THR . 60.7 mttt -139.98 160.78 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.746 ' CG1' HD11 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -153.97 120.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 43.03 48.13 6.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 1.2 t30 87.79 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.666 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -52.18 176.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 141' ' ' VAL . 1.5 m-20 -123.23 116.75 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.616 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 41.7 t -58.43 88.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.696 HG12 ' HA3' ' A' ' 7' ' ' GLY . 4.2 t -57.08 -59.48 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.733 ' SG ' HG21 ' A' ' 145' ' ' VAL . 43.5 t -144.64 98.9 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.623 ' O ' HG22 ' A' ' 4' ' ' VAL . . . -110.88 168.86 13.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.29 27.1 70.54 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.002 HG13 HG13 ' A' ' 22' ' ' VAL . 6.6 t -100.65 51.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.1 m -36.59 112.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.7 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.9 OUTLIER -75.82 -97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -107.27 -78.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -121.88 43.17 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -176.77 136.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.951 ' HB ' HG23 ' A' ' 67' ' ' THR . 12.6 m -64.4 174.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.65 HG21 HG23 ' A' ' 147' ' ' THR . 1.4 t -140.41 122.88 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.631 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 95.3 m-85 -135.88 84.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.827 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.3 mpp? -70.9 112.17 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.666 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.1 pp -102.67 173.38 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.43 ' O ' ' OG ' ' A' ' 157' ' ' SER . 17.2 p-10 -111.55 45.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -173.34 119.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.881 ' O ' HG23 ' A' ' 158' ' ' VAL . 1.0 OUTLIER -67.5 74.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.746 HD11 ' CG1' ' A' ' 135' ' ' VAL . 21.3 mt -32.84 154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.656 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 mtt -134.01 144.14 50.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.549 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 114.18 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 67.2 5.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 179.999 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' LEU . 9.2 t70 -118.55 131.61 56.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.496 HD21 HG21 ' A' ' 22' ' ' VAL . 1.9 mm? 43.65 -167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.788 HG13 ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -87.98 -176.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.788 ' N ' HG13 ' A' ' 4' ' ' VAL . . . 68.59 159.54 1.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 144.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.678 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.1 Cg_endo -75.02 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.734 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.64 -58.8 2.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -37.66 -35.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -56.57 -60.9 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -76.7 -51.69 11.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLY . 52.0 t80 -35.71 -67.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -43.22 -56.06 3.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.37 -36.93 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.18 -44.4 19.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -128.24 76.46 78.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.03 -62.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -123.03 107.28 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.38 -160.63 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.863 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -91.24 52.33 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -126.24 167.5 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.774 ' HB ' HG13 ' A' ' 145' ' ' VAL . 2.5 m -66.6 -11.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -106.58 -45.48 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.09 -17.88 11.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.596 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 21.9 ptp -99.0 -9.86 23.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.794 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 147' ' ' THR . 26.3 t -75.91 -37.09 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.21 -3.09 47.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -118.31 161.4 35.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 139.24 24.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -22.7 -50.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -47.3 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.459 HG13 ' OG ' ' A' ' 35' ' ' SER . 14.8 t -44.21 -38.39 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.75 ' HB1' ' CG2' ' A' ' 147' ' ' THR . . . -44.95 -25.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' VAL . . . -101.92 -32.65 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.63 ' CB ' HG21 ' A' ' 44' ' ' THR . 12.8 p -57.61 -17.02 12.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 32' ' ' VAL . 53.7 m-80 -79.2 -39.84 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.7 ' HB2' HD12 ' A' ' 40' ' ' LEU . 16.2 t-20 -75.96 138.45 69.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -156.097 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.863 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 Cg_endo -75.06 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 0.9 OUTLIER -122.58 -4.0 8.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD22 ' HB1' ' A' ' 70' ' ' ALA . 2.4 mt -121.93 -6.76 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -44.31 -56.95 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -61.55 -32.26 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.949 ' HG ' HD21 ' A' ' 47' ' ' LEU . 1.1 tp -64.11 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.63 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -46.49 -60.28 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -38.06 -38.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -66.73 -71.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.949 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -48.76 -61.46 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.658 ' HA ' HG23 ' A' ' 58' ' ' VAL . 38.5 p -42.95 -57.72 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 51' ' ' LEU . . . 139.68 -22.01 2.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.502 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 13.3 mt-30 -37.71 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' HG3' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -84.55 -51.12 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.776 ' HB3' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -122.66 128.18 25.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 2.7 6.34 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -115.87 -2.2 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.776 HG13 ' HB3' ' A' ' 52' ' ' ASN . 3.6 m -114.56 130.69 68.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.675 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.0 p30 -157.83 84.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.857 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -95.54 14.05 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG22 ' HB1' ' A' ' 31' ' ' ALA . 1.3 t -69.91 -65.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.581 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -42.63 -43.09 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 62' ' ' ASN . 8.3 m -70.76 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.588 HD22 HG21 ' A' ' 102' ' ' VAL . 2.6 mt -39.57 -29.23 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 60' ' ' THR . 44.6 t30 -95.52 57.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m 178.16 106.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.15 142.63 12.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 1.6 mp0 -63.0 105.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.459 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 14.7 m-30 -114.83 -176.44 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.899 HG23 ' HB ' ' A' ' 151' ' ' THR . 19.7 m -147.75 86.53 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.6 t -52.44 135.15 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.546 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 11.6 m-85 -123.75 70.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.13 129.38 35.62 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -139.793 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.921 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.04 122.2 7.04 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.769 HG21 HG21 ' A' ' 141' ' ' VAL . 36.0 p -64.8 175.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.442 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -67.03 -16.87 64.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.29 -20.04 23.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.94 -44.0 51.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 38.5 m-85 -71.46 -42.08 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -55.32 -44.16 75.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -40.69 -66.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 HG21 ' A' ' 83' ' ' THR . 13.3 mt -46.75 153.28 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 138.48 22.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' PRO . . . -38.58 -36.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.31 -57.47 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.409 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -53.65 -46.42 70.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.371 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.579 HG22 ' HE3' ' A' ' 88' ' ' LYS . 32.1 mm -62.12 -71.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.493 ' HA ' ' CE ' ' A' ' 88' ' ' LYS . 3.1 t70 -40.47 -28.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -73.69 -46.54 45.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.679 ' O ' HD22 ' A' ' 94' ' ' LEU . 4.6 mt -49.79 -32.86 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HE3' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -81.96 29.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 86' ' ' GLU . 6.3 t -172.52 31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 86.2 m-20 -119.79 -72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 90' ' ' ASN . 8.9 t 75.38 0.02 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.44 -48.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -86.44 -17.95 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.897 HD12 HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -87.49 -45.99 10.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 99' ' ' THR . 47.6 m -57.58 -46.64 83.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 1.2 m -51.68 -35.06 41.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.575 HD13 ' CG1' ' A' ' 158' ' ' VAL . 5.0 mt -68.14 -64.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.897 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -41.23 -56.17 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 102' ' ' VAL . 1.1 p -51.47 -50.97 58.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.702 ' CE2' ' O ' ' A' ' 160' ' ' MET . 21.4 t80 -60.29 -16.46 34.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.651 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 37.5 m-70 -93.74 23.4 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.568 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -157.89 127.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 118' ' ' THR . 20.7 t -106.97 160.87 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -102.57 105.11 15.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' GLN . . . 126.99 86.16 0.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -36.66 131.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 108' ' ' SER . 25.7 m -131.89 170.89 14.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.421 ' H ' HG22 ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.52 162.41 22.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.566 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.2 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.52 -46.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.04 -22.2 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG13 HG11 ' A' ' 126' ' ' VAL . 9.8 p -51.29 -24.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 126' ' ' VAL . 15.6 t -61.13 131.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.16 164.18 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.416 ' H ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -72.69 86.94 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 123' ' ' SER . 0.4 OUTLIER -76.68 -173.53 2.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -130.96 98.91 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.777 ' HA ' HG22 ' A' ' 103' ' ' VAL . 66.8 p -54.53 150.6 8.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.074 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -53.21 -24.05 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 1.074 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -62.88 -46.59 87.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 139.19 -26.36 2.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -77.62 161.11 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -93.96 138.02 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.1 p -110.34 106.68 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 42.5 m -69.12 105.38 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.786 HG22 HG22 ' A' ' 135' ' ' VAL . 45.4 t -99.64 140.51 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.549 ' HA ' HG13 ' A' ' 113' ' ' VAL . 8.7 m -135.57 175.4 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.504 ' H ' HG22 ' A' ' 127' ' ' THR . . . 128.98 -111.21 1.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 19.4 tt0 85.47 83.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 -106.65 3.25 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 132' ' ' SER . 6.3 m120 -94.69 122.79 37.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 1.4 m 87.37 123.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 127' ' ' THR . 5.9 mt -128.46 141.12 51.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.782 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -129.59 164.59 23.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.816 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 1.7 t -166.33 129.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 135' ' ' VAL . . . 29.48 79.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.9 OUTLIER 39.54 49.83 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.87 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -147.96 172.03 14.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.7 m-20 -122.59 121.56 36.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 74.5 t -61.42 112.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.769 HG21 HG21 ' A' ' 72' ' ' THR . 2.4 t -80.63 -43.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.588 ' HA ' HG12 ' A' ' 4' ' ' VAL . 36.5 t -163.06 119.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -122.46 -171.63 13.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 60.97 18.74 55.24 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.774 HG13 ' HB ' ' A' ' 22' ' ' VAL . 1.4 t -86.57 57.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 19.2 m -47.2 133.44 11.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.75 ' CG2' ' HB1' ' A' ' 33' ' ' ALA . 3.2 p -100.79 -105.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.157 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -104.05 -65.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.439 ' ND2' ' CG1' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -131.07 38.47 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.617 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . . . -171.61 154.71 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.899 ' HB ' HG23 ' A' ' 67' ' ' THR . 58.5 m -92.73 176.5 6.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.587 ' H ' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -140.4 131.43 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.504 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 76.8 m-85 -140.33 91.33 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.555 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -63.5 145.28 55.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.995 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.765 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -138.32 176.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -112.85 31.08 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.87 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.9 m -156.28 145.07 20.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.626 ' O ' ' N ' ' A' ' 160' ' ' MET . 89.3 t -73.73 13.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 157' ' ' SER . 7.2 mt 48.38 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.702 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 21.9 mtp 77.2 138.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.436 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 127.2 10.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.01 69.87 5.45 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' O ' HD23 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 62.65 28.92 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 1' ' ' GLY . 4.1 mm? -111.0 164.2 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.582 HG21 ' CB ' ' A' ' 109' ' ' PRO . 33.8 m -136.83 137.8 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.24 156.08 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 177.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -62.11 -37.11 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 -29.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.93 -75.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -44.6 -52.07 8.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ALA . 52.3 t80 -37.31 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -39.9 -51.42 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -46.58 -47.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.9 -52.36 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.27 80.55 12.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.01 -27.99 9.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.5 p -140.89 -159.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.19 -171.13 54.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.69 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -85.93 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.511 ' O ' ' CE ' ' A' ' 25' ' ' MET . 77.5 p -129.46 177.89 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.956 HG22 ' CG1' ' A' ' 145' ' ' VAL . 4.9 t -72.31 -40.51 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.0 tp60 -89.5 -49.71 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.17 -27.8 2.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.692 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 12.9 ptp -92.96 -22.51 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLN . 2.2 m -64.82 -12.75 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -93.28 11.09 29.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 76.6 m-20 -128.28 152.01 77.28 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 96.9 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.716 HG22 ' N ' ' A' ' 31' ' ' ALA . 3.8 p 29.86 -113.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.716 ' N ' HG22 ' A' ' 30' ' ' VAL . . . -12.06 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.55 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 56.5 t -34.34 -60.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.692 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -40.26 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' C ' HG21 ' A' ' 44' ' ' THR . . . -48.01 -29.35 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.76 ' N ' HG21 ' A' ' 44' ' ' THR . 1.6 p -78.72 47.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -160.16 -40.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.93 ' O ' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -50.55 133.16 26.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 171.38 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.837 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.04 3.64 5.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 2.5 mm-40 -121.8 -3.3 9.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD22 ' HB1' ' A' ' 70' ' ' ALA . 38.8 mt -114.13 -30.84 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 37' ' ' ASN . 2.6 p -37.79 -33.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.679 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.1 t -70.54 -51.72 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.876 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -60.94 -54.35 46.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.76 HG21 ' N ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -47.0 -60.72 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.376 -179.946 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -37.82 -40.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.62 -73.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -45.59 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' ' CG1' ' A' ' 58' ' ' VAL . 11.9 p -41.39 -71.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 152.85 -19.42 0.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.98 -22.14 2.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.746 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD21 ' HE2' ' A' ' 88' ' ' LYS . 0.3 OUTLIER -109.36 -46.65 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.8 ' HB2' HG22 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -110.79 98.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 11.06 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -122.87 2.98 9.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.8 HG22 ' HB2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -125.06 175.62 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.7 p30 175.2 113.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.733 HD21 HG22 ' A' ' 99' ' ' THR . 0.6 OUTLIER -123.99 -41.1 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG13 ' H ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -22.58 -70.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.706 ' H ' HG13 ' A' ' 58' ' ' VAL . 5.0 m-20 -37.58 -57.5 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 57' ' ' LEU . 14.1 m -57.78 -55.91 28.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.368 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' HG11 ' A' ' 30' ' ' VAL . 8.5 mt -36.16 -43.02 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -85.01 50.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 60' ' ' THR . 26.7 t -112.15 -91.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -106.13 176.06 21.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 3.2 mt-30 -56.24 106.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.518 ' HB2' ' HB2' ' A' ' 150' ' ' ALA . 8.8 m-30 -110.56 -174.36 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.894 HG23 ' HB ' ' A' ' 151' ' ' THR . 24.8 m -151.26 87.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.9 t -52.7 133.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.651 ' CD2' HG23 ' A' ' 103' ' ' VAL . 13.9 m-85 -125.11 66.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.02 131.81 29.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -138.347 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.876 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.94 114.41 4.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.579 HG21 HG21 ' A' ' 141' ' ' VAL . 19.8 p -58.47 179.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' ND2' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -73.94 -7.87 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' HE3' ' A' ' 78' ' ' LYS . . . -90.88 -22.84 20.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HB2' ' N ' ' A' ' 157' ' ' SER . . . -75.85 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.748 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 54.3 m-85 -55.18 -43.36 74.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -48.73 -54.46 14.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' SER . 6.6 mtmt -37.26 -57.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 79' ' ' LEU . 6.4 mt -49.82 145.12 9.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.0 147.08 33.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.49 -54.42 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -49.61 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.97 -53.07 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.52 -57.28 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.91 -22.44 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' OD1' ' A' ' 90' ' ' ASN . 4.2 tp10 -80.18 -50.61 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.834 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.7 mt -55.08 -26.46 37.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HE2' HD21 ' A' ' 51' ' ' LEU . 22.9 mttt -78.73 1.77 21.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 p -141.48 12.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.543 ' ND2' HD23 ' A' ' 87' ' ' LEU . 26.7 m-20 -107.37 -163.02 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 95' ' ' THR . 5.3 p 173.83 -30.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -105.54 33.76 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.81 -44.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -77.32 -52.03 9.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 91' ' ' SER . 1.8 m -40.83 -44.11 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.2 OUTLIER -54.24 -48.28 71.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.69 HG22 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -57.5 -55.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.69 HD23 HG22 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -50.21 -61.5 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.733 HG22 HD21 ' A' ' 57' ' ' LEU . 2.2 p -49.87 -41.28 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.712 ' CE2' ' O ' ' A' ' 160' ' ' MET . 14.8 t80 -67.48 -17.85 64.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.708 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 26.8 m-70 -90.31 19.56 5.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.576 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -154.77 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.651 HG23 ' CD2' ' A' ' 69' ' ' PHE . 56.0 t -103.06 152.94 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.17 95.88 8.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 143.63 100.39 0.33 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 133.23 55.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.653 HG21 ' NH2' ' A' ' 116' ' ' ARG . 17.5 m -152.63 147.16 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.584 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 2.4 p -78.69 164.5 55.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.582 ' CB ' HG21 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 49.07 2.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.14 21.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 112' ' ' VAL . 5.3 m120 -157.63 -52.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.584 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -28.46 -42.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 111' ' ' ASN . 3.0 t -39.76 159.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 113' ' ' VAL . . . 105.67 -136.65 13.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.8 m -126.93 99.11 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.653 ' NH2' HG21 ' A' ' 107' ' ' THR . 0.0 OUTLIER -92.46 -179.71 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -125.66 97.78 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 103' ' ' VAL . 19.3 p -54.45 167.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.676 HD11 HG22 ' A' ' 99' ' ' THR . 0.5 OUTLIER -67.83 -25.37 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 30.9 tp60 -66.45 -11.95 54.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.5 -21.84 42.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -77.91 168.09 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.7 m -100.82 144.51 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.34 117.13 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -78.98 91.02 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.823 HG13 ' CG2' ' A' ' 135' ' ' VAL . 24.3 t -86.31 147.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.467 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -153.32 172.97 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.59 160.01 10.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -109.91 -80.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.753 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -135.9 -67.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 132' ' ' SER . 30.8 m120 -84.31 99.6 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.608 ' C ' HD12 ' A' ' 133' ' ' LEU . 1.6 m 82.51 108.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.608 HD12 ' C ' ' A' ' 132' ' ' SER . 4.3 mp -111.98 171.67 7.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 135' ' ' VAL . 9.3 mttt -131.9 159.91 37.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.823 ' CG2' HG13 ' A' ' 126' ' ' VAL . 1.4 t -156.98 118.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 48.86 39.5 25.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 5.1 t30 89.14 -29.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.809 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -61.1 174.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 1.6 m-20 -122.91 112.09 17.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 154' ' ' MET . 57.4 t -56.7 97.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.579 HG21 HG21 ' A' ' 72' ' ' THR . 2.5 t -66.65 -52.35 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 17.9 t -150.94 105.24 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.85 165.01 12.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.05 17.66 62.57 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.956 ' CG1' HG22 ' A' ' 22' ' ' VAL . 2.1 t -88.22 53.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.532 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 18.3 m -44.57 122.95 3.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.7 OUTLIER -87.58 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -112.34 -74.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.7 OUTLIER -120.99 34.79 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.596 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -167.53 147.85 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.894 ' HB ' HG23 ' A' ' 67' ' ' THR . 20.6 m -85.12 176.76 8.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.569 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -141.51 126.23 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.52 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 91.2 m-85 -136.39 88.39 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 72' ' ' THR . 2.0 mtm -60.67 137.79 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.809 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.4 pp -135.26 161.35 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 13.5 p-10 -104.08 51.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.63 ' O ' HD13 ' A' ' 155' ' ' ILE . 1.4 m -169.14 141.09 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 158' ' ' VAL . 62.7 t -82.13 68.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.749 HD11 ' CG1' ' A' ' 135' ' ' VAL . 18.9 mt -27.27 140.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.712 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -133.04 141.52 41.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.444 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -74.98 58.07 4.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.995 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 54.59 170.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.535 HD12 ' SG ' ' A' ' 142' ' ' CYS . 4.3 mm? -94.17 -178.66 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.756 ' CG1' HD22 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -141.03 9.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -128.59 151.3 18.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -169.307 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.607 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 18.4 Cg_endo -74.98 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.748 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -39.15 -58.31 1.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -36.24 -34.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . -63.5 -64.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 4.0 tt0 -70.55 -54.46 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 37.6 t80 -39.65 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.62 -45.56 4.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -40.32 -32.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.85 -41.18 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -121.01 79.39 33.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -41.44 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' OG ' ' A' ' 21' ' ' SER . 77.3 p -124.79 -164.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.64 -174.93 50.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -9.33 20.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.842 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -103.14 45.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.432 ' OG ' ' C ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -125.19 173.52 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.959 HG13 HG13 ' A' ' 145' ' ' VAL . 3.5 t -63.42 -44.25 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -87.95 -47.58 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.21 -51.84 7.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.784 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 7.4 ptp -57.04 -20.85 26.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' GLN . 5.3 t -61.35 -38.89 88.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.0 -7.79 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.505 ' CG ' HG12 ' A' ' 32' ' ' VAL . 74.7 m-20 -104.63 145.14 30.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.94 98.03 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.9 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.4 p 30.68 -122.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.763 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.24 -70.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.551 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 79.4 t -31.06 -63.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -30.64 -70.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.75 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -48.88 -45.61 41.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 1.118 ' N ' HG21 ' A' ' 44' ' ' THR . 4.7 m -51.78 -20.26 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.519 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 1.4 m-80 -138.99 28.76 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.692 ' O ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -85.13 133.17 43.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 129.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.842 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.03 9.68 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.759 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.2 mt-10 -116.01 -18.59 10.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.046 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -105.16 -16.58 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -38.28 -29.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 40' ' ' LEU . 4.3 m -72.93 -54.72 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.695 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -53.99 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.118 HG21 ' N ' ' A' ' 35' ' ' SER . 81.3 p -47.78 -60.56 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -38.52 -39.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.698 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -66.06 -69.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.695 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.47 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.36 -67.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 150.26 -18.62 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.6 mt-30 -46.16 -24.35 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HG ' ' CG ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -98.32 -53.62 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -120.33 116.13 32.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 13.01 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 52' ' ' ASN . 1.9 mt-30 -119.59 8.66 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.514 ' CG2' ' HA ' ' A' ' 91' ' ' SER . 39.0 t -127.99 158.13 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p30 -177.27 107.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.687 HD11 HG23 ' A' ' 99' ' ' THR . 13.7 mt -116.6 -36.87 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.776 HG13 ' H ' ' A' ' 59' ' ' ASP . 1.3 p -28.33 -72.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.776 ' H ' HG13 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -33.86 -50.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.4 m -66.77 -55.8 13.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.9 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.66 -26.47 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' VAL . 38.8 t30 -91.09 49.4 1.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -177.28 104.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.1 138.67 8.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.1 mt-30 -62.14 101.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.4 m-30 -112.19 -175.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.854 HG23 ' HB ' ' A' ' 151' ' ' THR . 14.9 m -143.48 86.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' A' ' 70' ' ' ALA . 61.7 t -52.34 134.61 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE2' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -125.42 68.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -102.13 124.9 38.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -139.387 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.774 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.561 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 76.8 p -56.39 -160.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -85.47 -25.9 26.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.99 -2.15 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . . . -95.46 -48.72 5.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.774 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 51.1 m-85 -77.85 -36.78 49.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -55.96 -21.82 23.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 156' ' ' ASP . 4.4 mtmt -66.14 -51.34 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 83' ' ' THR . 51.9 mt -62.75 151.55 84.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.9 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.48 -33.53 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -49.96 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.576 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -58.97 -45.13 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.2 -45.63 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -23.28 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -79.45 -47.89 14.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 6.9 mt -59.49 -16.63 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.756 ' O ' HG23 ' A' ' 89' ' ' THR . 21.3 mtmt -88.9 15.19 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 88' ' ' LYS . 1.2 p -161.44 32.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.587 ' ND2' HD23 ' A' ' 93' ' ' LEU . 97.2 m-20 -116.81 -73.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.514 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 29.5 t 67.22 11.06 8.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.5 p -133.74 -44.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.587 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -89.12 -22.86 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.973 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.49 -47.44 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.43 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 38.1 m -50.96 -34.67 29.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 0.1 OUTLIER -62.84 -36.88 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 101' ' ' HIS . 4.0 mt -69.81 -57.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.973 HD21 HD12 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -43.97 -62.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.893 HG22 HD22 ' A' ' 119' ' ' LEU . 3.3 p -49.04 -49.69 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.644 ' CE2' ' O ' ' A' ' 160' ' ' MET . 30.3 t80 -62.41 -9.1 7.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.798 ' CE1' HD11 ' A' ' 155' ' ' ILE . 21.8 m-70 -101.17 25.16 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -157.85 120.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 1.028 HG13 ' O ' ' A' ' 117' ' ' GLN . 73.0 t -102.06 139.79 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 116.38 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.22 86.01 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 0.3 OUTLIER -39.15 146.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 0.736 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.0 m -159.86 159.14 32.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -98.76 165.58 14.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CB ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.98 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -138.61 -46.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -99.26 -30.93 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.714 HG13 HG11 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -42.72 -33.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.75 HG23 ' HA ' ' A' ' 127' ' ' THR . 2.4 p -55.97 131.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.44 -170.6 13.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.4 m -71.14 110.09 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.748 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.4 OUTLIER -120.55 125.1 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 1.028 ' O ' HG13 ' A' ' 103' ' ' VAL . 29.4 tt0 -70.25 124.57 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.617 HG22 HG22 ' A' ' 103' ' ' VAL . 43.9 p -96.29 170.82 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.893 HD22 HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -51.37 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -36.16 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 115.07 -23.83 11.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 162' ' ' PRO . . . -63.21 -170.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 p -123.41 139.01 54.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 116' ' ' ARG . 11.0 p -114.35 106.17 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 m -74.37 79.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.714 HG11 HG13 ' A' ' 112' ' ' VAL . 21.4 t -67.26 154.63 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.75 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -153.52 179.11 9.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . 150.55 161.8 10.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 3.3 tt0 156.57 96.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 109.11 64.5 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 31.0 m120 41.8 54.29 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.499 ' C ' HD12 ' A' ' 133' ' ' LEU . 0.5 OUTLIER -178.4 94.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.756 HD22 ' CG1' ' A' ' 4' ' ' VAL . 2.8 mp -102.1 142.99 32.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 135' ' ' VAL . 2.5 mtmm -116.51 166.52 12.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.697 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.1 t -155.79 123.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 38.65 45.71 2.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 17.2 t-20 88.91 -42.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -56.28 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.806 ' O ' HG22 ' A' ' 155' ' ' ILE . 6.2 m-20 -123.06 173.76 7.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 74.3 t -114.23 95.09 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.748 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -63.78 -53.99 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' A' ' 145' ' ' VAL . 41.2 t -154.22 104.12 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -111.76 162.17 12.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.82 17.79 69.43 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.959 HG13 HG13 ' A' ' 22' ' ' VAL . 5.3 t -88.53 53.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 0.9 OUTLIER -37.48 112.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.645 HG22 ' HG3' ' A' ' 25' ' ' MET . 1.0 OUTLIER -78.06 -99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -109.8 -84.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -111.06 39.66 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -175.83 151.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.854 ' HB ' HG23 ' A' ' 67' ' ' THR . 7.2 m -80.01 177.69 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 151' ' ' THR . 1.6 t -142.22 123.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.567 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 82.9 m-85 -134.47 84.69 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.572 ' SD ' HD21 ' A' ' 40' ' ' LEU . 12.7 mtm -61.46 137.74 58.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.806 HG22 ' O ' ' A' ' 139' ' ' ASP . 7.2 pt -125.53 179.31 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.481 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 5.5 p-10 -115.76 27.42 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -158.46 138.43 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 158' ' ' VAL . 1.1 m -74.04 61.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.628 ' C ' ' O ' ' A' ' 158' ' ' VAL . 1.2 tp -20.3 133.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.644 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.3 mtt -124.92 148.79 60.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.449 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 138.91 23.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.0 67.37 5.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.958 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.22 32.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.734 HD13 ' SG ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -88.11 -171.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.821 HG21 ' HB2' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -104.25 -5.66 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 142' ' ' CYS . . . -114.91 149.93 18.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -159.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.99 -65.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -44.24 -37.09 4.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.734 ' SG ' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.11 -38.76 40.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.82 -65.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -65.83 -49.76 67.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' ALA . 85.0 t80 -34.89 -60.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -36.63 -60.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . . . -39.77 -47.55 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -65.9 -52.33 51.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' CG ' ' HB3' ' A' ' 20' ' ' ALA . 42.2 m-80 -121.14 79.01 34.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.97 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 18' ' ' GLY . 10.2 p -119.6 -10.84 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -48.79 -178.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -35.15 3.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -66.89 -9.7 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -61.82 165.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.084 HG12 HG13 ' A' ' 145' ' ' VAL . 27.0 m -58.56 -38.85 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' SER . 2.5 tp60 -88.23 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.57 -20.35 2.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.708 ' HG3' HG22 ' A' ' 147' ' ' THR . 18.5 ptp -102.21 -17.02 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' HA ' ' C ' ' A' ' 147' ' ' THR . 74.0 m -62.96 -36.74 84.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -66.36 -10.73 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 46.7 m-20 -104.8 145.97 31.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.618 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.03 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.778 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 27.86 -103.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.778 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -17.84 -78.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.618 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 71.0 t -34.52 -60.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . -37.63 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.875 ' C ' HG21 ' A' ' 44' ' ' THR . . . -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.775 ' N ' HG21 ' A' ' 44' ' ' THR . 0.3 OUTLIER -76.31 48.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -170.15 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.898 ' O ' HG23 ' A' ' 41' ' ' THR . 15.9 m-80 -48.43 127.63 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 160.574 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.635 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.99 4.55 4.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.449 1.763 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.714 ' C ' HD23 ' A' ' 40' ' ' LEU . 2.2 mm-40 -119.92 -6.81 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.714 HD23 ' C ' ' A' ' 39' ' ' GLU . 7.5 mt -115.65 -32.51 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.1 p -34.24 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' LEU . 3.4 m -69.06 -56.83 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.919 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.09 -51.81 68.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.875 HG21 ' C ' ' A' ' 34' ' ' ALA . 5.1 p -47.56 -54.99 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 50' ' ' GLN . . . -42.81 -38.62 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -65.77 -70.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -47.6 -61.92 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.924 ' HA ' HG23 ' A' ' 58' ' ' VAL . 88.5 p -42.24 -48.64 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 52' ' ' ASN . . . 131.85 -22.15 4.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 5.5 mm-40 -38.36 -56.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -56.6 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.63 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -112.12 118.52 45.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 4.04 5.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.33 5.27 23.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 47' ' ' LEU . 2.3 t -128.41 153.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -169.1 93.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -106.87 14.22 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.924 HG23 ' HA ' ' A' ' 48' ' ' SER . 1.9 t -66.86 -33.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -81.63 -37.87 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 63' ' ' SER . 18.3 m -67.37 -62.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.756 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 6.8 mt -39.15 -48.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 29' ' ' PRO . 8.8 t-20 -81.74 51.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 60' ' ' THR . 14.4 t -108.79 -93.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -111.82 177.97 19.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -49.33 105.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 7.5 m-30 -112.7 -175.37 2.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.98 HG23 ' HB ' ' A' ' 151' ' ' THR . 34.8 m -153.59 87.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.885 HG12 ' HB2' ' A' ' 70' ' ' ALA . 13.4 t -51.03 134.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 155' ' ' ILE . 8.7 m-85 -125.83 65.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.885 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.91 129.53 32.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -137.548 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.914 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.05 117.24 4.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 155' ' ' ILE . 39.9 p -60.76 170.05 1.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -61.38 -35.02 76.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.74 -28.53 67.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HA ' ' HZ1' ' A' ' 78' ' ' LYS . . . -70.0 -46.38 65.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.692 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 28.5 m-85 -68.86 -42.59 76.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -49.18 -49.59 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HZ3' ' HA ' ' A' ' 157' ' ' SER . 4.3 mtmp? -40.75 -65.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD13 HG21 ' A' ' 83' ' ' THR . 6.4 mt -42.71 146.96 0.67 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.99 -50.27 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 p -40.93 -51.3 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.499 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -58.41 -49.7 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.53 -49.45 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.74 -21.5 41.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -48.96 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.378 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.1 mt -56.12 -20.82 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -85.74 12.49 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.1 t -163.9 36.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 91' ' ' SER . 94.0 m-20 -114.71 -90.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 1.4 t 88.26 2.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 t -126.77 -46.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.2 tp -85.7 -25.25 26.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.948 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.69 -49.44 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 99' ' ' THR . 2.5 m -47.99 -42.77 28.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 161' ' ' PRO . 14.1 m -60.06 -37.04 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 101' ' ' HIS . 3.1 mt -66.88 -60.15 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.948 HD21 HD12 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -43.67 -62.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 95' ' ' THR . 79.1 p -48.18 -45.35 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.659 ' CE2' ' O ' ' A' ' 160' ' ' MET . 47.4 t80 -69.09 -10.67 58.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.645 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 11.6 m-70 -100.4 17.54 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.637 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -156.1 117.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 117' ' ' GLN . 71.5 t -94.18 148.94 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.56 101.61 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 168.38 -55.03 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 2.3 tt0 76.89 133.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 67.0 m -147.3 -91.88 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 112' ' ' VAL . 0.5 OUTLIER 168.17 163.58 0.15 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.956 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.821 ' HB2' HG21 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -152.95 -44.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 20.7 m-20 -98.92 -37.38 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.601 HG13 HG11 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -41.15 -27.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.657 HG23 ' HA ' ' A' ' 127' ' ' THR . 10.0 p -59.69 138.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.67 170.38 20.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.59 103.77 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.588 ' HB2' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -104.7 -177.28 3.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.904 ' O ' HG13 ' A' ' 103' ' ' VAL . 12.8 tt0 -126.33 128.8 47.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.167 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.455 ' HA ' HG22 ' A' ' 103' ' ' VAL . 69.2 p -94.45 146.5 24.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -43.19 -28.75 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.546 ' CG ' ' OG1' ' A' ' 99' ' ' THR . 1.5 tm0? -56.86 -55.7 31.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.19 -23.26 2.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.43 175.21 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 4.5 m -103.69 143.71 32.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.5 p -114.97 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 m -69.76 93.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.605 HG13 HG22 ' A' ' 135' ' ' VAL . 13.2 t -86.23 160.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.657 ' HA ' HG23 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -155.87 165.6 35.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 137.6 162.96 9.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -155.31 -81.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.51 -59.63 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -146.24 79.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.07 52.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.555 ' CD1' HG13 ' A' ' 4' ' ' VAL . 7.0 mt -73.34 110.04 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 156.22 27.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.605 HG22 HG13 ' A' ' 126' ' ' VAL . 2.3 t -139.92 118.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 55.76 -84.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 135' ' ' VAL . 1.3 t30 -143.1 21.71 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -119.35 -179.63 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 20.3 m-20 -125.14 118.71 26.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 57.5 t -54.68 121.08 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.449 HG23 ' CA ' ' A' ' 155' ' ' ILE . 2.4 t -94.36 -40.91 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 145' ' ' VAL . 9.7 t -159.27 101.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 152' ' ' VAL . . . -115.32 155.57 16.23 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.51 22.1 32.59 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.084 HG13 HG12 ' A' ' 22' ' ' VAL . 6.0 t -95.58 57.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.545 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 21.0 m -45.01 126.26 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.708 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.8 OUTLIER -91.16 -97.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -107.77 -72.11 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -125.64 30.07 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.648 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -160.3 149.15 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.98 ' HB ' HG23 ' A' ' 67' ' ' THR . 41.9 m -85.87 176.22 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.577 ' H ' HG22 ' A' ' 151' ' ' THR . 1.2 t -136.79 126.61 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.56 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 83.6 m-85 -138.29 87.12 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.49 ' HA ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.32 147.5 53.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.76 ' O ' HG23 ' A' ' 72' ' ' THR . 0.1 OUTLIER -136.47 178.48 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -118.78 45.36 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.569 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -170.47 141.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 158' ' ' VAL . 41.3 t -75.52 68.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 1.0 OUTLIER -33.61 127.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.659 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 8.5 mtt -123.33 149.47 58.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.426 ' CG ' ' HB3' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.94 120.87 6.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.84 6.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.998 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -81.86 147.54 29.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER 46.24 -170.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 133' ' ' LEU . 10.0 p -148.28 156.53 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.69 156.59 23.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -160.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 141' ' ' VAL . 18.4 Cg_endo -75.0 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.68 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.51 -47.91 4.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' N ' ' HB2' ' A' ' 142' ' ' CYS . 0.0 OUTLIER -40.45 -35.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PRO . . . -69.43 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.4 mm-40 -46.08 -55.07 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLY . 60.0 t80 -37.18 -64.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' PRO . . . -45.34 -47.79 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -51.95 -37.97 54.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -80.19 -44.1 20.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -127.3 78.48 74.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -75.0 -24.16 13.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.7 p -137.67 -155.18 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.15 -175.3 51.01 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.35 20.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.781 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.22 38.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.449 ' O ' ' HE3' ' A' ' 25' ' ' MET . 52.4 p -118.12 165.66 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG12 HG13 ' A' ' 145' ' ' VAL . 21.7 m -64.32 -32.9 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.703 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -94.36 -47.03 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.09 -19.72 5.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.815 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 18.4 ptp -101.3 -14.63 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.2 m -67.22 -22.03 65.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -84.14 -1.7 55.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' CG ' HG12 ' A' ' 32' ' ' VAL . 78.2 m-20 -112.33 147.99 38.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 30' ' ' VAL . 18.5 Cg_endo -74.98 99.49 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.904 HG11 ' O ' ' A' ' 61' ' ' LEU . 12.9 p 29.09 -121.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.8 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.4 -72.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 35' ' ' SER . 79.4 t -32.28 -61.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.815 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -38.61 -69.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.741 ' HB1' ' HB3' ' A' ' 40' ' ' LEU . . . -41.28 -29.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.691 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.1 OUTLIER -77.71 48.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -166.22 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.693 ' O ' HG23 ' A' ' 41' ' ' THR . 4.4 m-20 -51.99 132.43 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 168.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.781 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.07 6.39 3.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.583 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -124.13 -0.93 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.741 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 20.8 mt -120.22 -34.17 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -38.54 -36.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.699 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 1.5 t -67.44 -50.54 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.838 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -59.43 -55.35 35.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.691 HG21 ' CB ' ' A' ' 35' ' ' SER . 59.0 m -45.74 -62.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -36.41 -40.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -64.17 -68.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.721 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -53.91 -61.86 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.7 p -40.47 -67.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 52' ' ' ASN . . . 151.31 -19.94 0.94 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 3.9 mt-30 -45.42 -24.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 0.768 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -98.54 -52.06 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.639 ' OD1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -121.62 116.54 30.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 10.74 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.0 mt-30 -119.24 13.57 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 137.87 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -157.68 83.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 99' ' ' THR . 4.0 mp -87.18 -32.68 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.702 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.0 p -29.6 -64.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.702 ' H ' HG13 ' A' ' 58' ' ' VAL . 4.1 m-20 -42.6 -53.95 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 57' ' ' LEU . 23.9 m -61.31 -54.74 40.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.904 ' O ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -49.99 -24.01 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -94.38 50.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.87 108.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . 97.15 133.01 7.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 7.4 mt-30 -54.23 105.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.556 ' HB3' HG23 ' A' ' 102' ' ' VAL . 12.1 m-30 -111.94 -173.28 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.818 HG23 ' HB ' ' A' ' 151' ' ' THR . 22.5 m -149.38 85.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.806 HG12 ' HB2' ' A' ' 70' ' ' ALA . 66.2 t -51.64 132.21 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.658 ' CD2' HG23 ' A' ' 103' ' ' VAL . 11.8 m-85 -122.37 71.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.806 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -96.98 132.19 26.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -138.617 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.838 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.97 122.97 7.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.524 HG21 HG21 ' A' ' 141' ' ' VAL . 17.2 p -69.79 170.12 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -13.23 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.78 -22.11 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . . . -77.02 -61.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.782 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 61.9 m-85 -54.97 -27.12 41.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' LYS . 1.2 m -62.51 -52.93 61.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 75' ' ' ALA . 3.3 mtmm -37.06 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.65 HD21 ' CG2' ' A' ' 158' ' ' VAL . 0.0 OUTLIER -36.49 148.17 0.18 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.04 33.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.57 1.827 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.07 -41.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -57.02 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -46.57 -47.2 19.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.365 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.1 -46.34 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -20.52 40.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 89' ' ' THR . 14.2 tp10 -82.65 -51.72 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.526 HD23 ' ND2' ' A' ' 90' ' ' ASN . 6.4 mt -54.8 -19.11 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -84.44 7.32 20.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 86' ' ' GLU . 10.6 t -147.53 15.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.526 ' ND2' HD23 ' A' ' 87' ' ' LEU . 4.0 m-20 -118.48 162.72 17.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 p -154.71 22.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.77 -47.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -79.1 -27.26 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.959 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -85.48 -43.91 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 99' ' ' THR . 3.0 m -51.09 -52.0 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -45.45 -45.2 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.753 HG22 HD23 ' A' ' 98' ' ' LEU . 1.1 mt -60.38 -56.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.959 HD21 HD12 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -50.96 -60.25 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.919 HG22 HD11 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -50.63 -44.75 57.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.701 ' CE2' ' O ' ' A' ' 160' ' ' MET . 22.0 t80 -66.77 -12.95 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.605 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 40.8 m-70 -95.39 23.7 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.883 HG13 HD23 ' A' ' 119' ' ' LEU . 1.1 p -163.72 116.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 117' ' ' GLN . 74.3 t -94.86 146.59 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 104.67 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' GLN . . . 127.44 110.98 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG2' ' OG1' ' A' ' 151' ' ' THR . 1.9 tt0 -67.44 131.52 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 20.1 m -150.78 130.2 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 p -63.72 166.85 8.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.575 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.4 Cg_endo -74.99 50.79 2.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.06 -45.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 23.2 m120 -96.63 -26.91 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.495 HG13 HG11 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -46.9 -24.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 127' ' ' THR . 93.8 t -65.88 139.87 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 115.88 -166.68 12.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.8 m -83.99 99.01 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.584 ' HD2' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -94.01 177.6 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.889 ' O ' HG13 ' A' ' 103' ' ' VAL . 38.6 tt0 -133.4 115.61 15.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.616 HG21 ' CD1' ' A' ' 100' ' ' TYR . 49.3 p -75.44 163.78 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.919 HD11 HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -65.18 -27.23 68.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 33.6 tp60 -59.38 -20.08 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 105.63 -12.57 46.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.49 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -85.32 176.93 8.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 p -109.64 138.62 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 116' ' ' ARG . 2.6 p -112.66 108.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -75.59 98.37 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.761 HG13 HG22 ' A' ' 135' ' ' VAL . 3.6 t -94.37 150.13 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.556 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -146.63 169.52 18.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.92 -117.34 1.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 65.57 128.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.764 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 76.92 -53.98 3.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 132' ' ' SER . 7.3 m120 -161.48 134.7 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 131' ' ' ASN . 2.6 t 83.18 150.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.605 HD12 HG22 ' A' ' 4' ' ' VAL . 7.3 mt -149.95 113.57 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' CE ' ' O ' ' A' ' 138' ' ' ALA . 1.2 mtpt -119.09 159.12 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.761 HG22 HG13 ' A' ' 126' ' ' VAL . 5.8 t -143.41 112.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 62.61 -80.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 135' ' ' VAL . 0.6 OUTLIER -150.03 21.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -118.21 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.46 ' N ' ' OD2' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -113.4 118.21 33.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 133' ' ' LEU . 84.1 t -59.93 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.68 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.4 t -69.14 -57.23 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 9.9 t -144.69 105.25 4.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.81 159.57 13.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.24 14.62 57.14 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.736 HG13 HG12 ' A' ' 22' ' ' VAL . 1.7 t -82.19 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 40.8 m -47.23 112.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 25' ' ' MET . 0.2 OUTLIER -81.48 -96.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -114.49 -85.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -109.81 37.94 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.506 ' HB2' ' HB2' ' A' ' 66' ' ' TYR . . . -174.85 150.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.818 ' HB ' HG23 ' A' ' 67' ' ' THR . 18.5 m -88.05 179.87 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.633 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -145.91 125.97 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.553 ' HA ' ' HA2' ' A' ' 143' ' ' GLY . 89.0 m-85 -133.78 90.61 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.531 ' HG3' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -60.43 133.68 56.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -129.99 164.24 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 156' ' ' ASP . 20.5 p-10 -102.92 47.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.746 ' O ' HD13 ' A' ' 155' ' ' ILE . 0.7 OUTLIER -172.9 146.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.65 ' CG2' HD21 ' A' ' 79' ' ' LEU . 72.6 t -73.2 12.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.7 HD21 HG12 ' A' ' 135' ' ' VAL . 11.5 mt 50.45 -83.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.701 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 1.8 mtt 79.27 136.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.426 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.34 11.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.3 Cg_endo -75.06 1.67 7.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' LEU . 1.1 m-20 -103.71 140.88 37.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER 47.16 -173.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.27 141.72 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.83 155.38 17.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 175.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.715 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -38.86 -34.65 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' CA ' ' HB2' ' A' ' 142' ' ' CYS . 0.5 OUTLIER -41.55 -50.36 4.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -71.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.32 -52.18 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 12' ' ' ALA . 12.1 t80 -54.3 -69.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -47.3 -47.32 25.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.91 -26.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.72 -31.22 12.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 20' ' ' ALA . 4.5 m-80 -134.69 71.63 70.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.07 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 18' ' ' GLY . 12.8 p -115.98 -13.99 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' THR . . . -49.88 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -87.18 49.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.481 ' O ' ' CE ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -124.04 -176.96 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.813 HG22 HG13 ' A' ' 145' ' ' VAL . 7.7 t -64.86 -41.04 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.71 -34.3 15.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.83 -8.65 42.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.617 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 21.4 ptp -112.07 -30.69 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 147' ' ' THR . 41.1 t -50.8 -48.21 59.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -52.7 -18.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 13.3 m-20 -101.67 152.66 38.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD2' ' HB ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.06 99.25 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.932 HG13 ' H ' ' A' ' 31' ' ' ALA . 2.3 p 25.09 -94.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.932 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -24.34 -85.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.637 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 55.9 t -35.4 -49.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 30' ' ' VAL . . . -41.41 -50.7 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -65.99 -31.04 71.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.91 ' HB2' HG21 ' A' ' 44' ' ' THR . 3.4 t -57.21 -14.41 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -88.9 -38.34 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.79 ' O ' HG23 ' A' ' 41' ' ' THR . 0.8 OUTLIER -64.16 134.24 95.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -167.247 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.803 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.0 7.92 2.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB2' ' SD ' ' A' ' 154' ' ' MET . 2.8 mm-40 -123.87 -8.94 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.75 HD22 ' HB1' ' A' ' 70' ' ' ALA . 9.4 mt -116.91 -11.21 10.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -37.84 -50.94 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -64.82 -42.83 94.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.922 ' HG ' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.19 -64.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.91 HG21 ' HB2' ' A' ' 35' ' ' SER . 3.2 m -45.04 -57.51 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 50' ' ' GLN . . . -40.43 -41.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.49 -70.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.922 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.48 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 8.6 t -43.67 -70.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 155.71 -21.95 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 4.7 mt-30 -42.74 -26.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -106.32 -47.28 3.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.848 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.73 90.43 18.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 15.09 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.9 mt-30 -119.52 10.67 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.848 HG12 ' HB2' ' A' ' 52' ' ' ASN . 5.8 p -158.69 153.87 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.807 ' C ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -154.44 112.36 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.906 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -101.34 -30.94 11.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 48' ' ' SER . 43.2 t -34.62 -63.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' VAL . 63.5 m-20 -37.08 -44.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.2 m -76.71 -56.34 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 47' ' ' LEU . 3.9 mt -35.43 -38.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' THR . 44.9 t30 -91.87 52.83 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' THR . 3.4 m -112.66 -91.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.973 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -177.41 24.04 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 5.1 mt-30 -60.76 106.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 11.7 m-30 -111.22 -173.4 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.985 HG23 ' HB ' ' A' ' 151' ' ' THR . 30.8 m -151.81 89.89 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.854 HG12 ' HB2' ' A' ' 70' ' ' ALA . 6.2 t -53.23 135.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.2 m-85 -125.42 69.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.854 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -99.73 130.54 26.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -137.319 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.798 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.1 Cg_endo -75.04 125.75 9.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.803 HG23 ' O ' ' A' ' 155' ' ' ILE . 26.7 p -67.89 174.5 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -14.82 62.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.61 -21.95 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.35 -42.13 59.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.779 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 35.7 m-85 -72.48 -39.19 67.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -56.25 -42.73 77.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -44.57 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.8 mt -40.09 151.66 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' THR . 18.2 Cg_endo -74.94 140.73 25.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.1 -44.4 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.5 p -45.08 -43.29 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -66.94 -51.52 54.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.488 HG22 ' HD2' ' A' ' 88' ' ' LYS . 38.6 mm -57.52 -55.9 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -24.65 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 89' ' ' THR . 0.7 OUTLIER -78.53 -40.95 33.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD23 ' ND2' ' A' ' 90' ' ' ASN . 5.3 mt -65.6 -19.18 65.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' HG22 ' A' ' 84' ' ' ILE . 5.5 mtpt -90.68 34.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 86' ' ' GLU . 9.8 t -173.72 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.557 ' ND2' HD23 ' A' ' 87' ' ' LEU . 92.1 m-20 -39.92 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER 82.02 -7.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 p -127.09 16.22 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -151.63 -43.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.982 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -59.7 -41.37 90.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.417 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -49.1 -37.33 21.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 120' ' ' GLN . 1.5 m -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.599 HD11 ' HE2' ' A' ' 160' ' ' MET . 2.3 mt -69.95 -52.61 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.982 HD21 HD12 ' A' ' 94' ' ' LEU . 1.5 mt -49.61 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.438 ' O ' HG13 ' A' ' 102' ' ' VAL . 26.4 p -46.49 -48.34 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.754 ' CE2' ' O ' ' A' ' 160' ' ' MET . 27.1 t80 -60.7 -18.25 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.653 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 32.3 m-70 -92.71 20.97 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -159.03 127.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 118' ' ' THR . 34.8 t -106.33 158.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.827 ' HB2' HD21 ' A' ' 119' ' ' LEU . . . -102.95 95.51 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.07 96.56 0.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 123.42 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.427 ' HB ' HG13 ' A' ' 112' ' ' VAL . 10.8 m -135.24 145.8 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.596 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 51.5 p -80.42 160.37 67.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 45.88 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 108' ' ' SER . . . -151.32 18.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 113' ' ' VAL . 11.4 m120 -151.9 -51.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -31.31 -37.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.922 HG13 ' HA ' ' A' ' 127' ' ' THR . 52.1 t -49.01 124.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 129.83 177.83 15.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.2 m -68.35 81.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.348 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.53 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -83.23 -178.6 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.535 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.9 tt0 -135.57 117.95 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.89 ' HA ' HG22 ' A' ' 103' ' ' VAL . 14.5 p -88.88 169.11 11.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 104' ' ' ALA . 14.0 mt -50.09 -54.46 20.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -38.64 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . 104.5 -17.02 47.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.68 143.79 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 1.7 m -76.5 129.68 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.6 p -103.93 100.35 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.2 m -69.26 92.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.645 HG13 HG22 ' A' ' 135' ' ' VAL . 18.4 t -87.15 153.83 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.922 ' HA ' HG13 ' A' ' 113' ' ' VAL . 1.2 p -151.85 177.67 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 137.66 -117.21 1.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 56.04 72.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.35 -82.97 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -166.19 51.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.94 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 140' ' ' VAL . 7.5 mt -74.9 134.4 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.4 ' HB2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -129.95 155.43 46.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.653 ' CG1' HD21 ' A' ' 159' ' ' LEU . 6.5 t -143.39 115.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 59.98 -81.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 135' ' ' VAL . 3.6 t30 -146.21 19.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.74 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -117.39 -179.41 3.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.92 117.47 24.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 133' ' ' LEU . 43.9 t -55.61 119.06 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.715 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.6 t -87.89 -46.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.458 ' HB2' ' CA ' ' A' ' 8' ' ' CYS . 33.4 t -155.42 103.57 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -112.22 160.72 13.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.41 18.97 54.19 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.813 HG13 HG22 ' A' ' 22' ' ' VAL . 1.7 t -90.54 56.68 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 48.4 m -44.71 133.45 5.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.575 HG22 ' SD ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -99.15 -104.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -103.75 -65.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.1 OUTLIER -132.51 42.03 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . . . -174.14 149.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.985 ' HB ' HG23 ' A' ' 67' ' ' THR . 95.9 m -87.31 174.52 8.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.506 ' N ' HG22 ' A' ' 151' ' ' THR . 1.2 t -136.99 128.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.585 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 79.8 m-85 -137.47 88.22 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.487 ' O ' ' HA ' ' A' ' 140' ' ' VAL . 3.9 mtm -60.5 150.11 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.803 ' O ' HG23 ' A' ' 72' ' ' THR . 0.9 OUTLIER -142.46 178.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.43 35.12 4.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.74 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -160.79 147.15 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.69 ' O ' ' N ' ' A' ' 160' ' ' MET . 85.7 t -75.47 16.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.653 HD21 ' CG1' ' A' ' 135' ' ' VAL . 0.3 OUTLIER 47.07 -81.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.754 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 9.7 mtp 77.07 139.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.422 ' HD3' HG13 ' A' ' 97' ' ' ILE . 18.3 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.03 5.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.67 144.85 29.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 22' ' ' VAL . 1.3 mt 46.56 -171.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.836 HG12 ' O ' ' A' ' 143' ' ' GLY . 8.6 p -141.92 175.1 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.511 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 82.6 151.25 9.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.582 1.176 . . . . 0.0 111.036 169.308 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.72 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -41.52 -46.24 4.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' SG ' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -39.88 -30.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -75.41 -73.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -53.31 -57.57 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 7' ' ' GLY . 74.2 t80 -41.19 -63.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' TYR . . . -39.59 -51.76 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -43.04 -46.77 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -71.6 -50.31 32.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -117.26 82.01 14.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.05 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.9 p -131.45 159.41 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.25 -178.1 16.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.96 21.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -84.45 -32.95 23.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.48 176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.718 ' HB ' HG13 ' A' ' 145' ' ' VAL . 8.4 m -90.44 36.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -150.7 -61.15 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.15 -31.63 11.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.778 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 14.7 ptp -66.25 -10.1 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 4.4 t -68.99 -38.67 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -69.64 -5.22 23.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.527 ' CG ' HG12 ' A' ' 32' ' ' VAL . 58.5 m-20 -103.89 146.77 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 96.87 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.807 HG11 ' O ' ' A' ' 61' ' ' LEU . 7.3 p 30.55 -118.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.733 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -10.04 -71.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CB ' ' HD2' ' A' ' 29' ' ' PRO . 63.5 t -30.69 -63.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -31.15 -64.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.579 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -49.84 -49.44 49.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.951 ' CB ' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -51.44 -30.88 21.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.045 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 8.2 m-80 -82.49 -29.01 30.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.585 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -63.67 127.73 91.83 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 172.796 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.0 10.83 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.735 ' C ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.51 -18.99 7.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.047 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -104.27 -9.44 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 37' ' ' ASN . 82.6 p -36.69 -40.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -69.4 -49.78 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.901 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.4 OUTLIER -46.67 -64.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.951 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -47.94 -61.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 44' ' ' THR . . . -33.33 -42.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -63.02 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD12 ' CG2' ' A' ' 58' ' ' VAL . 0.1 OUTLIER -60.5 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.529 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.5 OUTLIER -35.0 -56.64 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.51 -20.4 3.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.39 -23.32 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -108.56 -49.59 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.891 ' HB2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.79 91.28 21.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.03 15.37 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.452 ' H ' ' C ' ' A' ' 52' ' ' ASN . 4.7 mt-30 -117.98 4.92 12.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.891 HG12 ' HB2' ' A' ' 52' ' ' ASN . 6.3 p -153.01 150.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.592 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.9 p30 -150.19 121.14 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.646 HD21 HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -125.14 4.82 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.767 ' CG2' HD12 ' A' ' 47' ' ' LEU . 6.6 t -74.19 -32.81 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -87.12 -7.58 57.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 m -101.44 -40.59 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.043 HD22 HG21 ' A' ' 102' ' ' VAL . 16.9 mt -69.23 -20.48 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 62' ' ' ASN . 31.3 p-10 -90.4 42.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -164.15 108.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.12 147.99 21.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 2.5 mt-30 -67.32 102.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 14.1 m-30 -113.25 -176.23 2.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.98 HG23 ' HB ' ' A' ' 151' ' ' THR . 21.4 m -145.91 87.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.883 HG12 ' HB2' ' A' ' 70' ' ' ALA . 18.5 t -51.08 134.91 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.448 ' CD2' ' O ' ' A' ' 67' ' ' THR . 10.6 m-85 -124.81 63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.883 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -95.99 129.46 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -138.504 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.901 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.0 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 155' ' ' ILE . 77.1 p -55.47 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.96 -28.6 39.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.29 -10.03 59.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.48 -75.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.722 ' CE1' ' HG2' ' A' ' 71' ' ' PRO . 71.3 m-85 -47.08 -25.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.6 t -68.18 -49.33 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -46.38 -50.69 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.707 HD11 ' HB ' ' A' ' 158' ' ' VAL . 32.1 mt -59.67 150.02 68.81 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.0 160.76 39.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.6 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.8 p -47.72 -47.33 30.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -46.36 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.2 mm -63.61 -47.63 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -16.85 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.76 -46.34 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' HB3' HD13 ' A' ' 94' ' ' LEU . 6.6 mt -61.72 -20.43 63.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -86.41 12.31 10.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 t -162.2 36.37 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.56 ' ND2' HD23 ' A' ' 93' ' ' LEU . 88.0 m-20 -114.13 -91.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.9 OUTLIER 82.35 -11.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 m -116.45 -12.46 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD23 ' ND2' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -123.94 -41.54 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -66.08 -40.5 90.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 96' ' ' SER . 12.1 t -45.15 -52.2 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -49.53 -44.09 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.943 HG22 HD23 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -61.0 -64.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 94' ' ' LEU . 1.5 mt -44.77 -61.78 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.646 HG22 HD21 ' A' ' 57' ' ' LEU . 21.8 p -51.57 -47.97 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.643 ' CE2' ' O ' ' A' ' 160' ' ' MET . 53.4 t80 -60.77 -17.6 50.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.721 ' CE1' HD11 ' A' ' 155' ' ' ILE . 15.7 m-70 -92.86 24.47 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.043 HG21 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -158.87 126.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.884 HG22 ' HA ' ' A' ' 118' ' ' THR . 3.7 t -102.71 164.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.519 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -123.67 109.71 14.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 157.65 -42.41 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.439 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.0 OUTLIER 76.6 116.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.966 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 111' ' ' ASN . 4.8 m -154.08 134.68 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.423 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 2.3 p -60.86 169.29 2.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.98 2.48 6.57 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.31 -10.31 28.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 107' ' ' THR . 4.0 m120 -124.99 -42.6 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.811 HG13 HG11 ' A' ' 126' ' ' VAL . 0.6 OUTLIER -38.65 -31.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.513 HG13 ' HA ' ' A' ' 127' ' ' THR . 73.7 t -47.96 137.34 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.22 -171.19 24.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 m -70.56 127.73 33.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.736 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.9 tpm_? -128.83 133.2 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.461 ' HB3' HH21 ' A' ' 116' ' ' ARG . 56.4 tt0 -75.4 118.45 18.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.884 ' HA ' HG22 ' A' ' 103' ' ' VAL . 22.8 p -77.95 161.71 27.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 1.031 HD23 ' N ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -65.1 -25.7 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 1.031 ' N ' HD23 ' A' ' 119' ' ' LEU . 27.3 tp60 -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.92 5.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 162' ' ' PRO . . . -67.51 -179.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 p -115.53 149.29 38.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 116' ' ' ARG . 3.1 p -123.11 127.6 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 20.7 m -84.84 98.15 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.811 HG11 HG13 ' A' ' 112' ' ' VAL . 10.0 t -92.59 163.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.538 HG22 ' C ' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -158.54 169.99 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.442 ' CA ' ' HG ' ' A' ' 133' ' ' LEU . . . -169.48 140.58 6.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -129.65 -46.16 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.49 128.2 0.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.6 m120 49.8 29.8 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.608 ' C ' HD12 ' A' ' 133' ' ' LEU . 10.8 t 171.69 117.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.608 HD12 ' C ' ' A' ' 132' ' ' SER . 5.7 mp -115.22 168.93 9.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.1 OUTLIER -128.7 157.06 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.748 ' CG2' HG13 ' A' ' 126' ' ' VAL . 2.2 t -154.25 123.97 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 40.0 42.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 12.4 t-20 89.06 -40.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.582 ' HB1' ' HB ' ' A' ' 155' ' ' ILE . . . -51.54 173.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -118.64 117.33 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.02 99.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.72 HG12 ' HA3' ' A' ' 7' ' ' GLY . 2.5 t -64.77 -56.92 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 38.4 t -153.04 108.03 3.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.836 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -114.11 171.11 13.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.04 77.41 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.718 HG13 ' HB ' ' A' ' 22' ' ' VAL . 2.0 t -88.34 58.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 35.0 m -41.72 111.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.596 HG21 ' CB ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -81.39 -98.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -110.04 -89.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -106.54 38.53 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.506 ' O ' ' OG1' ' A' ' 147' ' ' THR . . . -176.92 152.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.98 ' HB ' HG23 ' A' ' 67' ' ' THR . 90.9 m -84.49 174.11 10.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.511 ' H ' HG22 ' A' ' 151' ' ' THR . 1.4 t -134.82 126.72 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.598 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 74.1 m-85 -136.35 84.99 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.68 ' HG2' HD11 ' A' ' 40' ' ' LEU . 14.1 mtm -64.32 139.24 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.721 HD11 ' CE1' ' A' ' 101' ' ' HIS . 6.1 pt -127.51 179.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.53 39.02 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -164.45 143.24 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.707 ' HB ' HD11 ' A' ' 79' ' ' LEU . 41.2 t -77.39 65.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.605 ' HB2' ' CE1' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -31.03 143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.643 ' O ' ' CE2' ' A' ' 100' ' ' TYR . 3.4 mtt -134.27 147.86 65.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 162' ' ' PRO . 18.2 Cg_endo -75.02 130.23 13.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 122' ' ' ALA . 18.4 Cg_endo -75.03 59.24 5.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 179.974 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -141.01 78.87 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . 3.0 mm? -101.72 -170.97 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.442 ' CG2' HD12 ' A' ' 133' ' ' LEU . 2.7 p -130.25 148.96 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.81 151.82 27.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -167.062 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' GLY . 18.4 Cg_endo -74.98 -66.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.732 ' HA3' HG12 ' A' ' 141' ' ' VAL . . . -36.47 -36.0 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -39.92 -30.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . -90.31 -65.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 3.7 mm-40 -44.26 -45.86 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 37' ' ' ASN . 63.7 t80 -53.82 -64.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -42.1 -47.56 4.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -40.71 -29.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' ALA . . . -96.73 -38.86 9.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' ALA . 12.8 m-80 -126.21 84.76 61.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -33.94 4.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 p -137.23 -165.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 -174.95 49.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.47 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.903 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -96.12 46.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.0 p -127.22 -171.65 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.984 HG13 HG13 ' A' ' 145' ' ' VAL . 24.7 t -79.16 -40.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -34.01 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.47 -48.32 85.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.767 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 13.2 ptp -62.03 -12.49 19.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 0.5 OUTLIER -65.47 -50.16 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.23 -15.05 5.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' CG ' HG12 ' A' ' 32' ' ' VAL . 70.7 m-20 -94.99 142.58 24.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.95 97.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.718 HG13 ' H ' ' A' ' 31' ' ' ALA . 9.0 p 31.8 -121.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.718 ' H ' HG13 ' A' ' 30' ' ' VAL . . . -8.9 -70.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.632 HG12 ' CG ' ' A' ' 28' ' ' ASP . 76.5 t -30.65 -63.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HB1' ' HB2' ' A' ' 25' ' ' MET . . . -29.13 -57.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB1' ' CB ' ' A' ' 40' ' ' LEU . . . -59.97 -51.48 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 32' ' ' VAL . 43.0 t -41.15 -27.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 2.0 m-80 -138.79 35.28 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 41' ' ' THR . 0.2 OUTLIER -85.83 134.73 38.87 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 128.82 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.903 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.94 6.95 3.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.829 ' C ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.19 -19.13 10.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.034 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -107.51 -11.39 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -40.0 -36.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.669 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 10.5 t -70.61 -46.99 62.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.877 HD13 ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -54.4 -56.99 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.609 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -48.75 -59.48 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.446 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.59 ' N ' HG22 ' A' ' 44' ' ' THR . . . -38.83 -39.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -65.42 -69.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -51.08 -62.66 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -39.49 -67.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' N ' ' OG ' ' A' ' 48' ' ' SER . . . 151.16 -20.31 0.96 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 3.2 mt-30 -38.8 -48.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.67 52.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -132.76 121.85 17.35 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 28.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' ASN . 2.5 mt-30 -129.42 3.92 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 47' ' ' LEU . 11.4 t -125.17 146.56 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 6.5 p30 -164.05 102.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 99' ' ' THR . 12.8 mt -114.13 -34.22 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.732 HG13 ' H ' ' A' ' 59' ' ' ASP . 2.9 p -33.59 -63.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.732 ' H ' HG13 ' A' ' 58' ' ' VAL . 7.3 m-20 -40.88 -51.44 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' LEU . 4.3 m -63.15 -60.7 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 31' ' ' ALA . 11.5 mt -33.4 -48.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.6 OUTLIER -81.13 52.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' THR . 37.3 m -118.67 -92.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' TYR . . . -99.58 170.9 23.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 149' ' ' ASN . 4.7 mt-30 -54.1 108.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 150' ' ' ALA . 6.9 m-30 -113.62 -175.26 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.967 HG23 ' HB ' ' A' ' 151' ' ' THR . 26.3 m -147.16 86.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.807 HG12 ' HB2' ' A' ' 70' ' ' ALA . 12.9 t -50.82 137.72 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' HE1' HG21 ' A' ' 135' ' ' VAL . 7.9 m-85 -131.34 59.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.807 ' HB2' HG12 ' A' ' 68' ' ' VAL . . . -94.08 134.03 26.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -137.639 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.877 ' HD2' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -74.99 103.46 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.592 ' CG2' ' HB3' ' A' ' 154' ' ' MET . 45.9 p -56.26 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.406 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 2.2 p30 -72.26 -50.22 28.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.57 41.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.967 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.709 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -79.56 -45.55 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.74 ' CE2' ' HG2' ' A' ' 71' ' ' PRO . 32.9 m-85 -82.63 -40.64 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -56.31 -31.0 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -58.07 -48.5 79.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.726 HD11 ' HB ' ' A' ' 158' ' ' VAL . 58.2 mt -62.05 149.82 85.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.12 28.65 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.68 -44.43 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.9 p -46.1 -48.33 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.574 HG21 HD13 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.89 -49.72 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.34 -37.55 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -21.24 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 4.4 tp10 -82.16 -41.55 20.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 87' ' ' LEU . 4.7 mt -63.02 -13.28 33.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.425 ' C ' ' ND2' ' A' ' 52' ' ' ASN . 17.3 mttt -93.69 11.19 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.9 t -145.02 15.71 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 87' ' ' LEU . 9.3 m-20 -116.64 -155.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.497 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.3 t 168.56 -32.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.8 -23.56 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -92.31 -48.26 6.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.045 HD12 HD21 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -63.68 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 94' ' ' LEU . 2.3 m -54.03 -50.56 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.556 ' CB ' ' HG3' ' A' ' 161' ' ' PRO . 1.5 m -48.9 -40.46 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.854 HG22 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -62.35 -58.29 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.045 HD21 HD12 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -50.57 -56.32 12.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.862 HG22 HD11 ' A' ' 119' ' ' LEU . 1.5 p -48.87 -50.35 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.783 ' CE1' HG13 ' A' ' 124' ' ' VAL . 1.2 t80 -60.67 -17.01 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.739 ' ND1' ' HD3' ' A' ' 71' ' ' PRO . 28.6 m-70 -91.92 25.81 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.56 HG13 HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -162.6 132.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 117' ' ' GLN . 43.1 t -114.42 128.2 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.23 113.42 22.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 106' ' ' GLN . . . 154.78 -44.2 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.527 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 0.4 OUTLIER 78.63 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 110.318 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.3 m -157.79 130.39 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 p -60.52 167.12 3.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.442 ' CG ' HG11 ' A' ' 4' ' ' VAL . 18.3 Cg_endo -75.01 50.06 2.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.515 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -136.56 -46.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -97.35 -24.31 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.438 HG13 HG11 ' A' ' 126' ' ' VAL . 4.0 p -52.77 -21.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 110' ' ' ALA . 14.6 p -69.95 150.55 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 106.43 -147.42 16.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.1 m -94.28 86.36 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.372 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.551 ' CB ' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -82.75 169.61 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.782 ' O ' HG13 ' A' ' 103' ' ' VAL . 26.3 tt0 -129.6 126.65 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.862 HG23 HG22 ' A' ' 124' ' ' VAL . 58.0 p -93.39 166.22 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.862 HD11 HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -63.61 -27.66 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.526 ' HB2' ' CB ' ' A' ' 99' ' ' THR . 23.7 tp60 -66.28 -26.56 67.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.62 -51.96 0.71 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.539 ' HB2' ' HD2' ' A' ' 162' ' ' PRO . . . -48.21 153.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -90.12 148.46 22.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 118' ' ' THR . 0.1 OUTLIER -110.14 96.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 125' ' ' THR . 4.2 m -65.81 76.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 135' ' ' VAL . 26.0 t -75.09 147.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.863 ' O ' HD23 ' A' ' 133' ' ' LEU . 46.2 m -146.5 176.77 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.567 ' H ' HG22 ' A' ' 127' ' ' THR . . . 131.94 -108.94 0.82 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 128' ' ' GLY . 4.6 tt0 87.08 -46.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -93.93 -136.78 8.25 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -87.71 57.88 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.1 157.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 127' ' ' THR . 6.9 mt -149.76 139.96 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.549 ' O ' HG23 ' A' ' 135' ' ' VAL . 3.7 mttm -130.42 165.94 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -163.84 115.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 137' ' ' ASN . . . 49.36 40.47 30.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 136' ' ' GLY . 2.7 t30 86.68 -22.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 157' ' ' SER . . . -72.14 169.89 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 155' ' ' ILE . 2.5 m-20 -118.51 121.29 39.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 133' ' ' LEU . 95.0 t -60.62 87.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.732 HG12 ' HA3' ' A' ' 7' ' ' GLY . 3.5 t -55.16 -56.62 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 145' ' ' VAL . 36.2 t -148.62 103.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 108.332 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 153' ' ' TYR . . . -113.76 167.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.01 24.58 63.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.984 HG13 HG13 ' A' ' 22' ' ' VAL . 4.3 t -98.51 51.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 15.5 m -36.84 115.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.747 HG23 HG21 ' A' ' 152' ' ' VAL . 1.2 p -79.79 -100.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . . . -103.27 -78.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 0.3 OUTLIER -122.72 44.2 2.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 66' ' ' TYR . . . -177.14 135.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.967 ' HB ' HG23 ' A' ' 67' ' ' THR . 6.8 m -63.16 175.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.747 HG21 HG23 ' A' ' 147' ' ' THR . 2.1 t -139.85 124.28 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.562 ' CE2' ' CG2' ' A' ' 151' ' ' THR . 89.9 m-85 -137.13 88.32 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.65 ' HG2' HD11 ' A' ' 40' ' ' LEU . 16.2 mtm -70.61 114.47 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.735 ' HB ' ' HB1' ' A' ' 138' ' ' ALA . 1.2 pp -105.76 173.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 156' ' ' ASP . 34.6 p-10 -115.52 51.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . 0.744 ' HB2' ' HB2' ' A' ' 138' ' ' ALA . 1.4 m -170.58 132.06 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.726 ' HB ' HD11 ' A' ' 79' ' ' LEU . 72.3 t -74.02 70.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.781 HD11 ' CG1' ' A' ' 135' ' ' VAL . 34.2 mt -34.58 125.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 158' ' ' VAL . 2.9 mtp -122.05 140.52 32.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.556 ' HG3' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 128.32 11.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 162' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 122' ' ' ALA . 18.2 Cg_endo -75.03 150.21 37.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.993 . . . . . . . . 0 0 . 1 stop_ save_